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Home> Hot Product Listed 1   > 1-fluoronaphthalene

1-fluoronaphthalene

Iupac Name:1-fluoronaphthalene
CAS No.:321-38-0
EINECS(EC#):206-287-0
Molecular Weight:146.16
Molecular Formula:C10H7F (Products with the same molecular formula)
MOL File:321-38-0.mol
Names and Identifiers
Synonyms

1-FLUORO NAPHTHALENE Fluoronaphthalene1-fluoronaphthalene

Inchi
InChI=1/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChkey
CWLKTJOTWITYSI-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC=C2F
Properties
Appearance
Needles.
Density
1.332
Melting Point
-13℃
Boiling Point
215-217℃
Refractive Index
1.592-1.594
Flash Point
65℃
Water
Stability Stable. Incompatible with strong oxidizing agents. Toxicology Irritant. Toxicity data (The meaning of any toxicological abbreviations which appear in
Solubilities

Stability
Stable. Incompatible with strong oxidizing agents.
Storage temp
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi:Irritant
Risk Statements
R36/37/38
Safety Statements
S26;S36
HazardClass
IRRITANT
Hazard Note

Flammable

Transport
UN 2810
Specification

The 1-Fluoronaphthalene, with its CAS registry number 321-38-0, has the systematic name of Naphthalene, 1-fluoro-. And it is usually used as?the organic reagent and pharmaceutical intermediate.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 269.48; (6)ACD/BCF (pH 7.4): 269.48; (7)ACD/KOC (pH 5.5): 1911.52; (8)ACD/KOC (pH 7.4): 1911.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.08 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 17.47×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.221 mmHg at 25°C; (23)Exact Mass: 146.053178; (24)MonoIsotopic Mass: 146.053178; (25)Heavy Atom Count: 11; (26)Complexity: 133.

Production method of this chemical: 1-[1]naphthyl-ethanol could react to produce 1-Fluoronaphthalene. This reaction could happen in the presence of the reagent of CsSO4F and the solvent of acetonitrile.

Use of this chemical: 1-Fluoronaphthalene could react to produce 3-fluoro-1,2-benzenedicarboxylic acid. This reaction could happen in the presence of the reagent of KMnO4 with its yield of 47%.?


?
When you are dealing with this kind of chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. And it may cause sensitization by skin contact and have possible risk of harm to the unborn child. For another thing, it is toxic which may at low levels cause damage to health. And it may cause cancer and will be toxic if by inhalation, in contact with skin and if swallowed. Besides, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source. And it has a very low flash point or evolve highly flammable gases in contact with water.?

There, you should take different measures to deal with different cases. The first important thing is to wear suitable protective clothing, and then try to avoid contacting with skin and eyes and avoid exposure - obtain special instruction before use. Besides, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2F
(2)InChI: InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
(3)InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 380mg/kg (380mg/kg) ? Journal of Laboratory and Clinical Medicine. Vol. 22, Pg. 1133, 1937.

Report

The 1-Fluoronaphthalene, with its CAS registry number 321-38-0, has the systematic name of Naphthalene, 1-fluoro-. And it is usually used as?the organic reagent and pharmaceutical intermediate.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.5; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 269.48; (6)ACD/BCF (pH 7.4): 269.48; (7)ACD/KOC (pH 5.5): 1911.52; (8)ACD/KOC (pH 7.4): 1911.52; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.08 cm3; (15)Molar Volume: 127.7 cm3; (16)Polarizability: 17.47×10-24 cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.144 g/cm3; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.221 mmHg at 25°C; (23)Exact Mass: 146.053178; (24)MonoIsotopic Mass: 146.053178; (25)Heavy Atom Count: 11; (26)Complexity: 133.

Production method of this chemical: 1-[1]naphthyl-ethanol could react to produce 1-Fluoronaphthalene. This reaction could happen in the presence of the reagent of CsSO4F and the solvent of acetonitrile.

Use of this chemical: 1-Fluoronaphthalene could react to produce 3-fluoro-1,2-benzenedicarboxylic acid. This reaction could happen in the presence of the reagent of KMnO4 with its yield of 47%.?


?
When you are dealing with this kind of chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. And it may cause sensitization by skin contact and have possible risk of harm to the unborn child. For another thing, it is toxic which may at low levels cause damage to health. And it may cause cancer and will be toxic if by inhalation, in contact with skin and if swallowed. Besides, if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source. And it has a very low flash point or evolve highly flammable gases in contact with water.?

There, you should take different measures to deal with different cases. The first important thing is to wear suitable protective clothing, and then try to avoid contacting with skin and eyes and avoid exposure - obtain special instruction before use. Besides, do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2F
(2)InChI: InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
(3)InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N?

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 380mg/kg (380mg/kg) ? Journal of Laboratory and Clinical Medicine. Vol. 22, Pg. 1133, 1937.

Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
Esteve Quimica, S.A. 2016
Krka, d. d., Novo mesto 2017
more >
MSDS

Download/Modify | Technical supported by XiXisys.com. For US version, EU version (23 languages) and more, please refer to xixisys.com/en/sds/search

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Fluoronaphthalene

1.2 Other means of identification

Product number -
Other names 4-fluoro-l-naphthalene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company WWW.GuideChem.COM
Address 8F, Block C, No.3 Building, Zijin Plaza, No.701, Gudun Road, Hangzhou, Zhejiang 310030, China
Telephone +86-571-89739798
Fax 86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-571-89739798
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Fluoronaphthalene Fluoronaphthalene 321-38-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

no data available

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

A fire in your laboratory involving this chemical should be extinguished with a dry chemical, carbon dioxide or halon extinguisher.

5.2 Specific hazards arising from the chemical

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2016)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Needles.
Colour no data available
Odour no data available
Melting point/ freezing point -55\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 215\u00b0C(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 65\u00b0C
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 1.1322g/mLat 20\u00b0C(lit.)
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

Simple aromatic halogenated organic compounds, such as 1-FLUORONAPHTHALENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: III IMDG: III IATA: III

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Fluoronaphthalene Fluoronaphthalene 321-38-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Not Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:146.160983 [g/mol]
Molecular Formula:C10H7F
XLogP3:3.7
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:146.053178
MonoIsotopic Mass:146.053178
Topological Polar Surface Area:0
Heavy Atom Count:11
Formal Charge:0
Complexity:133
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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