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Home> Encyclopedia > Hot Product Listed 2   > 2H-Pyran-2-one,5,6-dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,...
14331-22-7 structure

2H-Pyran-2-one,5,6-dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraen-1-yl]-,(6R)-

Iupac Name:1-naphthalen-1-yl-2H-tetrazole-5-thione
CAS No.:14331-22-7
EINECS(EC#): 243-116-9
Molecular Weight:228.273
Molecular Formula:C17H24CLNO2 (isomer)
Names and Identifiers
Synonyms

(+)-Fostriecin (6R)-5,6-Dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-phosphonooxy-1,7,9,11-tridecatetrenyl]-2H-pyran-2-one 2H-Pyran-2-one,5,6-dihydro-6-[(1E,3R,4R,6R,7Z,9Z,11E)-3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-,(6R)- (9CI) 2H-Pyran-2-one,5,6-dihydro-6-[3,6,13-trihydroxy-3-methyl-4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]- 2h-pyran-2-one,6-dihydro-6-[3,6,13-trihydroxy-3-methyl- 4-(phosphonooxy)-1,7,9,11-tridecatetraenyl]-, monosodiumsalt Antibiotic CI 920 Antibiotic CI-920 Antibiotic CL 1565A Antibiotic CL-1565A CI 920 CL 1565A CL-1565A Fostriecin NSC 339638 phosphotrienin Phosphotrienin, CI 920, CL 1565A, PD 110161, NSC 339638

Inchi
InChI=1S/C11H8N4S/c16-11-12-13-14-15(11)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,14,16)
InChkey
QUFRGNOIJAGRFY-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C=CC=C2N3C(=S)N=NN3
Properties
Density
1.081
Boiling Point
403.9 °C at 760 mmHg
Vapour
3.78E-05mmHg at 25°C
Refractive Index
1.777
Flash Point
233.2°C
Solubility
Sol in common org solvents except aliphatic hydrocarbons
In acetone 448, benzene 737, toluene 342, ethanol 408, xylene 239, chloroform 602, carbon tetrachloride 174, diethyl ether 219 (all in g/kg, 25 deg C).
SLIGHTLY SOL IN DIETHYL ETHER
In water, 580 mg/L at 25 deg C
Color/Form
Light tan solid
WHITE, CRYSTALLINE SOLID
Spectral properties
Intense mass spectral peaks: 120 m/z (100%), 77 m/z (43%), 93 m/z (33%), 43 m/z (31%)
Safety and Handling
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ0596000
CHEMICAL NAME :
2H-Pyran-2-one, 5,6-dihydro-6-(3,6,13-trihydroxy-3-methyl-4-(phosphon ooxy)-1,7,9,11- tridecatetraenyl)-
CAS REGISTRY NUMBER :
87810-56-8
LAST UPDATED :
199403
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H27-O9-P
MOLECULAR WEIGHT :
430.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
1200 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB88-246228
Skin, Eye, and Respiratory Irritations
...Propachlor causes severe irritation of both eyes and skin /in rodents/.
Cleanup Methods
Prevent exposure by the use of appropriate protective clothing and masks. Keep spectators away from any spillage. Empty any product remaining in damaged or leaking containers into a clean empty drum, and label. Absorb spillage with lime, damp sawdust, sand, or earth and dispose of safely (see below). If spillage is large, contain it by building a barrier of earth or sandbags. Avoid contamination of drains and waterways. Spills of powders should be cleaned up using a dustless method (e.g., by a vacuum cleaner suitable for use with toxic dusts). Alternatively, mix with damp sawdust and place in separate container for subsequent disposal. Dry brushing should not be carried out, as this creates dust clouds.
Evacuate persons not wearing protective equipment from area of spill or leak until clean-up is complete. Remove all ignition sources. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Contact your Department of Environmental Protection or your regional office of the federal EPA for specific recommendations. If employees are required to clean-up spills, they must be properly trained and equipped. OSHA 1910.120(q) may be applicable.
Fire Fighting Procedures
This chemical is a combustible solid. Use dry chemical, carbon dioxide, water spray, or alcohol foam extinguishers. Poisonous gases are produced in fire including nitrogen oxides and chlorine. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position. If employees are expected to fight fires, they must be trained and equipped in OSHA 1910.156.
Fire Potential
FIRE POINT, 316 DEG C.
Nonflammable
Formulations/Preparations
GRANULAR RAMROD 20 Active Ingredient 20.00% Propachlor; RAMROD FLAKE Active Ingredient 96.50% Propachlor; RAMROD FLOWABLE HERBICIDE Active Ingredient 42.00% Propachlor
DREXEL PROPACHLOR FLAKE TECHNICAL Active Ingredient 96.50% Propachlor
TECHNICAL MATERIAL CONTAINS MINIMUM OF 95% ACTIVE INGREDIENT.
65% WETTABLE POWDER, 20% GRANULE; DOW INTRODUCED NEW LIQUID FLOWABLE (4 LB/GAL) IN US IN 1977.
Package (flowable) or tank mix with atrazine.
Suspension concentrate
Reactivities and Incompatibilities
Incompatible with alkaline materials, strong acids, strong oxidizers. Attacks carbon steels.
Other Preventative Measures
Those engaged in the production, formulation, and transportation and propachlor, and users, should be aware of the effects and hazards of the chemical. They should be systematically educated and trained in the practice of safety rules, good housekeeping, and personal hygiene, i.e., cleanliness, washing, and the use of their personal protection equipment
Do not get in eyes, on skin, or on clothmg. Wear goggles, face shield or safety glasses and rubber gloves. Wash thoroughly with soap and water after handling. /Ramrod Flake/
FIRST AID: IF IN EYES, immediately flush with plenty of water for at least 15 minutes. Get medical attention. IF ON SKIN, immedIately flush with plenty of water while removing contaminated clothing. Get medical attention. As soon as soap is available, wash skin thoroughly with soap and water. Wash clothing before reuse. Sensitized persons should avoid further contact and reuse of contaminated clothing. - - IF SWALLOWED, remove visible particles from mouth and rinse mouth thoroughly with water. Swallow water to dilute. Get medical attention. NEVER GIVE ANYTHING BY MOUTH TO AN UNCONSCIOUS PERSON. /Ramrod Flake/
SKIN: Prevention and Protection: Use proper application technique, and proper skin protection: clean, rubber, PVC, or neoprene gloves. First Aid: Remove contaminated clothing; wash skin with soap and water; launder contaminated clothing before reuse
EYES: Prevention and Protection: Wear face-shield or goggles. First AId: Flush immediately with clean water for at least 15 minutes; refer for medical attention
INHALATION: Prevention and Protection: Avoid inhalation of fine dust and mist, use respiratory protection. First Aid: Remove to fresh air. INGESTION is unlikely to be a significant occupational hazard. Do not eat, drink, or smoke during working hours; wash hands before eating, drinking, or smoking. Accidental or deliberate ingestion could lead to poisoning; the main hazard of ingested liquid formulations is aspiration into the lungs. Obtain medical attention immediately.
Protective Equipment and Clothing
Wear protective gloves and clothing to prevent any reasonable probability of skin contact. Contact lenses should not be worn when working with this chemical. Wear dust-proof chemical goggles and face shield unless full face-piece respiratory protection is worn. Employees should wash immediately with soap when skin is wet or contaminated. Provide emergency showers and eyewash.
WEAR RUBBER GLOVES AND WASH THOROUGHLY AFTER HANDLING. CONTAMINATED CLOTHING SHOULD BE LAUNDERED BEFORE REUSE.
Octanol/Water Partition Coefficient
log Kow = 2.18
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure 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, aquatic, and plant life; and conformance with environmental and public health regulations.
Alkaline hydrolysis would yield N-isopropylaniline. However, incineration at 850 deg C together with flue gas scrubbing is the preferred disposal method.
Propachlor should be incinerated in a unit operating at 850 deg C equipped with off gas scrubbing equipment. Recommendable method: Incineration.
Surplus product, spilled material, contaminated absorbents, containers, etc., should be burned in a high-temperature incinerator (at least 800 C) with effluent gas scrubbing, designed for pesticide disposal. When no incinerator is available, bury in an approved dump or in an area where there is no risk of contamination of surface water. Comply with any local legislation applying to waste disposal.
Improper disposal of excess pesticide, spray mixtures or rinsate is a violation of federal law. If these wastes cannot be disposed of according to label use instructions, contact your State Pesticide or Environmental Control Agency or the Hazardous Waste representative at the nearest EPA Regional Office for guidance. Emptied container retains product residue. Observe all labeled safeguards until container is destroyed. Completely empty bag into equipment. Then dispose of empty bag in a sanitary landfill or by incineration, or, if allowed by state and local authorities, by burning. If burned, stay out of smoke. /Ramrod flake/
Computational chemical data
  • Molecular Weight:228.273g/mol
  • Molecular Formula:C17H24CLNO2
  • Compound Is Canonicalized:True
  • Exact Mass:228.047
  • Monoisotopic Mass:228.047
  • Complexity:317
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:16
  • 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
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