3D Mol Similar

Forchlorfenuron

: Iupac Name：1-(2-chloropyridin-4-yl)-3-phenylurea; CAS No.: 68157-60-8; Molecular Weight：247.682; Modify Date.: 2022-11-25 02:21; Introduction: Forchlorfenuronis is a diphenylurea-derivative cytokinin. Forchlorfenuronis is used as a plant growth regulator (PGR). Forchlorfenuronis is commonly used in horticulture to stimulate the growth of kiwi fruit and grapes. View more+

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1. Names and Identifiers

: 1.1 Name; Forchlorfenuron; 1.2 Synonyms; 1-(2-CHLORO-4-PYRIDYL)-3-PHENYLUREA 1-(2-chloro-4-pyridyl)-3-phenylurea,forchlorfenuron 1-(2-Chloropyridin-4-yl)-3-phenylurea 1-(2-CHLOROPYRIDIN-4-YL)-3-PHENYL-UREA 4-CPPU 4pu30 4PU30 cpd Chloropyridylphenyl urea CN 11-3138 cn11-3138 CPPU Forchior fennron Forchlorfenuron (KT-30) Forchlorfenuron (KT-30,CPPU) Forchlorfenuron [ISO] Fulmet KT 30 KT 30 (plant growth regulator) KT-30 N-(2-Chloro-4-pyridinyl)-N`-phenylurea N-(2-Chloro-4-pyridinyl)-N′-phenylurea N-(2-Chloro-4-pyridyl)-N′-phenylurea N-(2-chloro-4-pyridyl)-N'-phenylurea N-Phenyl-N′-(2-chloro-4-pyridyl)urea Sitofex SKW 20010 Urea, N-(2-chloro-4-pyridinyl)-N′-phenyl- Urea, N-(2-chloro-4-pyridinyl)-N-phenyl- V 3183; View all

1.3 CAS No.: 68157-60-8

1.4 CID: 93379

1.5 EINECS(EC#): 614-346-0

1.6 Molecular Formula: C12H10ClN3O (isomer)

1.7 Inchi: InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)

1.8 InChIkey: GPXLRLUVLMHHIK-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl

1.10 Isomers Smiles: C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl

2. Properties

2.1 Density: 1.415

2.1 Melting point: 170-172℃

2.1 Boiling point: 308.4 °C at 760 mmHg

2.1 Refractive index: 1.705

2.1 Flash Point: 140.3 °C

2.1 Precise Quality: 247.05100

2.1 PSA: 54.02000

2.1 logP: 3.52500

2.1 AnalyticLaboratory Methods: By hplc with uv detection; method validated at the 0.01 ppm level.

2.2 Appearance: white to off white crystals

2.3 Chemical Properties: White Solid

2.4 Color/Form: White to off-white crystalline powder

2.5 Decomposition: Carbon monoxide; and carbon dioxide; from burning. /Kim Blue Plant Growth Regulator/

2.6 pKa: 12.55±0.70(Predicted)

2.7 Water Solubility: In water = 39 mg/L (pH 6.4, 21 deg C)

2.8 Stability: Product is stable under normal conditions. /Kim Blue Plant Growth Regulator/

2.9 StorageTemp: 2-8°C

3. Use and Manufacturing

3.1 Agricultural Uses: Plant growth regulator: Forchlorfenuron is as a plant growth regulator to promote cell division, and to improve the quality and theyield of fruits, especially table grapes, grape raisins, andkiwi fruit. In some parts of California, forchlorfenuron issaid to double the size of Thompson seedless grapes anddelay crop maturity up to several weeks.widely used in agriculture on fruits to increase their size,

3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
H351: Suspected of causing cancer [Warning Carcinogenicity]
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes
P201, P202, P273, P281, P308+P313, P391, P405, and P501

3.3 Potential Exposure: Phenylurea/substituted urea plantgrowth regulator widely used in agriculture on fruits toincrease their size, to promote cell division, and to improvethe quality and the yield of fruits, especially table grapes,grape raisins, and kiwi fruit. In some parts of California,forchlorfenuron is reputed to double the size of Thompsonseedless grapes and delay crop maturity up to severalweeks.

3.4 Shipping: UN2767 Phenyl urea pesticides, solid, toxic,Hazard Class: 6.1; Labels: 6.1-Poisonous materials.

3.5 Usage: Forchlorfenuronis is a diphenylurea-derivative cytokinin. Forchlorfenuronis is used as a plant growth regulator (PGR). Forchlorfenuronis is commonly used in horticulture to stimulate the growth of kiwi fruit and grapes.

3.6 Waste Disposal: Containers must be disposedof properly by following package label directions or bycontacting your local or federal environmental controlagency, or by contacting your regional EPA office. If thismaterial cannot be disposed of according to label instruc tions, it may be dissolved or mixed with a combustible sol vent and burned in a chemical incinerator equipped with anafterburner and scrubber. In accordance with 40CFR165,follow recommendations for the disposal of pesticides andpesticide containers. Forchlorfenuron Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Hazard Codes: Xi

4.1 Risk Statements: R36/37

4.1 Safety Statements: 26-36

4.1 Packing Group: III

4.1 Hazard Class: 9

4.1 Hazard Declaration: H351-H411

4.1 RIDADR: UN3077

4.1 Caution Statement: P273-P281

4.1 Incompatibilities: May react with strong oxidizers such aschlorates, peroxides, nitrates, etc. Dust may form explosivemixture with air.

4.2 WGK Germany: 3

4.2 RTECS: YS7182500

4.2 Safety: Hazard Codes:?Xi
Risk Statements: 36/37?
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
RIDADR: UN3077 9/PG 3
WGK Germany: 3
RTECS: YS7182500

4.3 Toxicity: LD50 oral in mouse: > 500mg/kg

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H351 Suspected of causing cancer H411 Toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P308+P313 IF exposed or concerned: Get medical advice/ attention. P391 Collect spillage.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

7. Other Information

7.0 Henrys Law Constant: Henry's Law constant = 2.86X10-12 atm-cu m/mol at 25 °C

7.1 Dissociation Constants: pKa1 = 2.5; pKa2 = 12.25

7.2 Experimental Properties: Stable to heat and light. Not hydrolyzed over 30 days at pH 5, 7 and 9 (25 °C)

7.3 Disposal Methods: SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.|PESTICIDE DISPOSAL: Wastes resulting from the use of this product may be disposed of on site or at an approved waste disposal facility. /Kim Blue Plant Growth Regulator/|CONTAINER DISPOSAL: Nonrefillable container. Do not reuse or refill this container. Offer for recycling, if available. Triple rinse container (or equivalent) promptly after emptying. Triple rinse as follows: Empty the remaining contents into application equipment or a mix tank and drain for 10 seconds after the flow begins to drip. Fill the container 1/4 full with water and recap. Shake for 10 seconds. Pour rinsate into application equipment or a mix tank or store rinsate for later use or disposal. Drain for 10 seconds after the flow begins to drip. Repeat this procedure two more times. /Kim Blue Plant Growth Regulator/; View all

7.4 Special Reports: USEPA Office of Prevention, Pesticides and Toxic Substances, Pesticide Fact Sheet for Forchlorfenuron (September 2004).[Available from, as of November 21, 2011: http://www.epa.gov/opprd001/factsheets/]

7.5 Personal Protective Equipment: Personal Protective Equipment (PPE): APPLICATORS AND OTHER HANDLERS MUST WEAR: longsleeved shirt and long pants, chemical-resistant gloves such as barrier laminate or viton, butyl rubber, nitrile rubber, neoprene rubber, and polyvinyl chloride (PVC), shoes plus socks, and protective eyewear, goggles, safety shield, or safety glasses. /Kim Blue Plant Growth Regulator/

7.6 Fire Fighting Procedures: EXTINGUISHING MEDIA: Dry chemical or waterspray or waterfog or CO2 or Foam or Sand/Earth /Kim Blue Plant Growth Regulator/

7.7 Cleanup Methods: Absorb with an inert material such as sand, soil or vermiculite, and sweep up and dispose in accordance with federal, state and local regulations. /Kim Blue Plant Growth Regulator/|Do not contaminate water when cleaning equipment or disposing of equipment washwater or rinsate. /Kim Blue Plant Growth Regulator/

7.8 Preventive Measures: Use this product only in accordance with its labeling and with the Worker Protection Standard, 40 CFR 170. /Kim Blue Plant Growth Regulator/|Do not enter or allow worker entry into treated areas during the restricted entry interval (REI) of 12 hours. /Kim Blue Plant Growth Regulator/|Do not enter or allow worker entry into treated areas during the restricted entry interval (REI) of 12 hours. PPE required for early entry to treated areas that is permitted under the Worker Protection Standard and that involves contact with anything that has been treated, such as plants, soil or water, is: long-sleeved shirt and long pants; chemical-resistant gloves such as barrier laminate, viton, butyl rubber, nitrile rubber, neoprene rubber, or polyvinyl chloride (PVC); shoes plus socks; protective eyewear such as goggles, safety shield, or safety glasses. /Kim Blue Plant Growth Regulator/|Users should: Wash hands thoroughly with soap and water before eating, drinking, chewing gum, using tobacco, or using the toilet. Remove clothing immediately if pesticide gets inside. Then wash thoroughly and put on clean clothing. Remove PPE immediately after handling this product. Wash the outside of gloves before removing. As soon as possible, wash thoroughly and change into clean clothing. /Kim Blue Plant Growth Regulator/|For more Preventive Measures (Complete) data for Forchlorfenuron (6 total), please visit the HSDB record page.; View all

7.9 Pollution Sources: Forchlorfenuron's production may result in its release to the environment through various waste streams; its use as a plant growth regulator(1) will result in its direct release to the environment(SRC).

7.10 Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), a Koc range of 852-3320 measured in four soils(2), indicates that forchlorfenuron is expected to have moderate to low to slight mobility in soil(SRC). Volatilization of forchlorfenuron from moist soil surfaces is not expected to be an important fate process(SRC) given a Henry's Law constant of 2.86X10-12 atm-cu m/mole(2). Forchlorfenuron is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.45X10-10 mm Hg at 25 °C(2). Soil degradation studies using natural and sterilized soils found that forchlorfunuron degradation rates were faster in the natural soils suggesting that microbial degradation might be the major pathway of residue dissipation in soil(3). Dissipation rates in soil are reported to be slow with extractable residue half-lives of 578 days in one study(4). Another laboratory study observed dissipation half-lives of 15.1 to 121.3 days depending on soil type and moisture content(5).|AQUATIC FATE: Based on a classification scheme(1), a Koc range of 852-3320 measured in four soils(2), indicates that forchorfenuron is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon a Henry's Law constant of 2.86X10-12 atm-cu m/mole(2). According to a classification scheme(4), a BCF of 7.2 measured in bluegill fish(5), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Forchlorfenuron is stable to hydrolysis (30-day incubation period) at pH5, pH7 and pH9 at 25 °C(5). Forchlorfenuron did not undergo direct photolysis in aqueous solution in laboratory tests, but did photolyze in sensitized solutions (half-life of 5 days)(5). An anaerobic study in a flooded water-sediment system found a fenchlorfenuron half-life of 226 days(5). The laboratory dissipation half-lives in irrigation water collected from fields where forchlorfenuron was applied ranged from 43.3 to 64.5 days(6).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), forchlorfenuron, which has a vapor pressure of 3.45X10-10 mm Hg at 25 °C(2) is expected to exist solely in the particulate phase. Particulate-phase forchlorfenuron may be removed from the air by wet or dry deposition(SRC).; View all

7.11 Abiotic Degradation: The rate constant for the vapor-phase reaction of forchlorfenuron with photochemically-produced hydroxyl radicals has been estimated as 4.8X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 8 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Forchlorfenuron, at a nominal concentration of 30 ppm, was stable to hydrolysis in pH 5, 7 and 9 aqueous buffer solutions incubated at 25 °C for up to 30 days(2). Forchlorfenuron, at a concentration of 6.7 ug/mL, was photolytically stable in pH5 aqueous buffer solution that was continuously irradiated with a xenon arc lamp and maintained at 25 °C for up to 30 days(2). In the sensitized irradiated solutions, the photolytic half-life was 5 days(2).

7.12 Bioconcentration: Forchlorfenuron accumulation was studied in bluegill sunfish that were exposed to non-radiolabeled and uniformly phenyl ring-labeled [14C]-forchlorfenuron at a nominal concentration of 0.10 mg/L under flow-through aquarium conditions; Maximum bioconcentration factor (BCF) was 7.2x for the whole fish tissue samples(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

7.13 Mobility: A Koc range of 852-3320 (mean of 1763) was reported for four soils(1). According to a classification scheme(2), this Koc range suggests that forchlorfenuron is expected to have low to slight mobility in soil. Forchlorfenuron was considered to be moderately mobile to essentially immobile in soils with Freundlich Kads values of 2-20(3). Adsorption-desorption studies using three Indian soils classified forchlorfenuron as a chemical in the low to medium leaching category(4).

7.14 Volatilization: The Henry's Law constant for forchlorfenuron is 2.86X10-12 atm-cu m/mole(1). This Henry's Law constant indicates that forchlorfenuron is expected to be essentially nonvolatile from water surfaces(2). Forchlorfenuron's Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). Forchlorfenuron is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.45X10-10 mm Hg(3).

7.15 Human Exposure: Workers may be exposed to forchlorfenuron during mixing, loading, application, and post application activities. Handlers may be exposed to forchlorfenuron during mixing, loading, and application activities associated with agricultural crops. Based on the proposed use patterns, short- and intermediate-term dermal and inhalation exposure are expected to occur(1).

7.16 Mesh: Any of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins. (See all compounds classified as Plant Growth Regulators.)

7.17 Absorption: In both the main study and the biliary excretion study, at least 4 Sprague-Dawley rats/sex were dosed orally by gavage with 100 mg/kg of CPPU-UL-phenyl-(14)C (radiochemical purity: 99.16%; specific activity: 28.04 mCi/mmol) fortified with unlabeled Forchlorfenuron technical (purity: 98.2%). In the main study, urine, feces and air samples were collected periodically for 7 days post-dose. In the biliary excretion study, bile samples were collected periodically via the bile duct cannula up to 72 hours post-dose. The primary route of excretion was in the urine ((M) urine: 79%, feces: 16%, (F) urine: 68%, feces: 28%). During the 1st 24 hours post-dose, 82% of the radiolabel was recovered from the males and 66% from the females. Less than 0.1% of the administered dose was recovered in the air. The excretory half-lives ranged from 13 to 16 hours for both sexes for both the urine and feces. Recovery in the tissues at 7 days post dose represented less than 1% of the administered dose. In the biliary excretion study, 23 and 20% of the administered radiolabel were recovered in the bile from the males and females, respectively. However, the absorption kinetics could not be readily assessed because no urine or feces samples were collected simultaneously from these study animals.|Absorbed by leaves, stem, cotyledon and germinated seeds.; View all

7.18 Metabolism: At least 4 Sprague-Dawley rats/sex were dosed orally by gavage with 100 mg/kg of CPPU-UL-phenyl-(14)C (radiochemical purity: 99.16%; specific activity: 28.04 mCi/mmol) fortified with unlabeled Forchlorfenuron technical (purity: 98.2%). ... The primarily metabolite recovered in the urine was CPPU-sulfate with substitution on the phenyl ring. It represented 84 and 57% of the administered dose for the males and females, respectively. Other metabolites were products of phenyl ring hydroxylations as well. Hydroxyl-CPPU was the predominant metabolite recovered from the feces with 11 and 18% of the administered dose recovered from the males and females, respectively.

7.19 Biological Half Life: At least 4 Sprague-Dawley rats/sex were dosed orally by gavage with 100 mg/kg of CPPU-UL-phenyl-(14)C (radiochemical purity: 99.16%; specific activity: 28.04 mCi/mmol) fortified with unlabeled Forchlorfenuron technical (purity: 98.2%). ... The excretory half-lives ranged from 13 to 16 hours for both sexes for both the urine and feces.

7.20 Antidote: /SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/; View all

7.21 Mesh Entry Terms: 4PU30 cpd

7.22 Consumption Patterns: Applied at 1-1000 ppm, depending on crop.

7.23 Formulations: Soluble powder.|Gibberellic Acid (Kim-C1, LLC): Forchlorfenuron 98%.|KT-30 Technical (Kim-C1, LLC): Forchlorfenuron 98%.|ABG-3207 Plant Growth Regulator (Kim-C1, LLC): Forchlorfenuron 0.8%.|For more Formulations/Preparations (Complete) data for Forchlorfenuron (6 total), please visit the HSDB record page.

7.24 Use Classification: Agrochemicals -> Plant Growth Regulators

8. Computational chemical data

Molecular Weight: 247.682g/mol
Molecular Formula: C₁₂H₁₀ClN₃O
Compound Is Canonicalized: True
XLogP3-AA: 2.4
Exact Mass: 247.0512396
Monoisotopic Mass: 247.0512396
Complexity: 256
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 54
Heavy Atom Count: 17
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBzIAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgIQAAAACArBEiQ9wJLIEACoADRnVACCgCAxByAI2CA4ZpiIIGLB09GEJAholALIyCcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Question & Answer

What is the application and properties of Forchlorfenuron? Mar 11 2023
Forchlorfenuron is widely used in various crops such as fruit trees, vegetables, and grains. Currently, it is mainly used in crops such as kiwi and melon, and its application range is expanding. Resea..
What is Forchlorfenuron and its Effects on Plant Growth? May 24 2021
Forchlorfenuron is a benzylurea plant growth regulator with cytokinin activity. It is currently the most active synthetic cytokinin, with 10-100 times higher biological activity than 6-benzylaminopur..

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Plant Growth Regulator KT-30 Forchlorfenuron CAS 68157-60-8