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DICHLOFENTHION structure

DICHLOFENTHION

  • CAS:97-17-6
  • MW:315.153181
  • MF:C10H13Cl2O3PS
DICHLOFENTHION, with the chemical formula C10H14Cl2O2PS and CAS registry number 97-17-6, is a compound known for its use as an organophosphorus insecticide. This colorless to light yellow liquid is characterized by its dichloro and phosphorothioate functional groups. It is commonly used to control a wide range of pests in agriculture and horticulture, including aphids, mites, and whiteflies. DICHLOFENTHION acts by inhibiting the activity of acetylcholinesterase, an enzyme essential for the proper functioning of the nervous system in insects. However, it is important to note that DICHLOFENTHION has been classified as a hazardous substance and should be handled with care. It is recommended to follow proper safety precautions and guidelines when using this compound.
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1. Names and Identifiers
1.1 Name
DICHLOFENTHION
1.2 Synonyms
(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-Λ5-phosphane; EINECS 202-564-5; MFCD00045182; nemacidevc-13; O-(2,4-dichlorophenyl) O,O-diethyl phosphorothioate; o,o-diaethyl-o-2,4-dichlor-phenyl-monothiophosphat; O,O-Diaethyl-O-2,4-dichlorphenyl-thionophosphat; O,O-Diethyl O-(2,4-dichlorophenyl) thiophosphate; O,O-Diethyl-O-(2,4-dichloor-fenyl)-monothiofosfaat; o,o-diethylo-2,4-dichlorophenylthiophosphate; O,O-Dietil-O-(2,4-dicloro-fenil)-monotiofosfato; O-2,4-dichlorophenyl O,O-diethyl phosphorothioate; v-c1-13;
1.3 CAS No.
97-17-6
1.4 CID
7328
1.5 EINECS
202-564-5
1.6 Molecular Formula
C10H13Cl2O3PS
1.7 Inchi
InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
1.8 InChkey
WGOWCPGHOCIHBW-UHFFFAOYSA-N
1.9 Canonical Smiles
CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
1.10 Isomers Smiles
CCOP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl
2. Properties
2.1 Solubility
245ug/L(25 ºC)
2.2 Color/Form
COLORLESS LIQUID
2.3 Decomposition
WHEN HEATED TO DECOMP...EVOLVES HIGHLY TOXIC /HYDROGEN CHLORIDE/ FUMES. SOME ORGANIC DECOMP TO YIELD PHOSGENE. /CHLORIDES/
2.4 Water Solubility
MISCIBLE WITH MOST ORGANIC SOLVENTS; SLIGHTLY SOLUBLE IN WATER.
SOL IN ETHANOL, ETHER, BENZENE
SOLUBILITY IN WATER: 0.245 MG/L @ 25 DEG C; MISCIBLE WITH KEROSENE
2.5 Spectral Properties
INDEX OF REFRACTION: 1.5291 @ 25 DEG C/D
Intense mass spectral peaks: 279 m/z (100%), 223 m/z (50%), 281 m/z (42%), 162 m/z (42%)
2.6 Stability
NON-VOLATILE
2.7 StorageTemp
0-6°C
3. Use and Manufacturing
3.1 Description

Dichlofenthion, with the chemical formula C10H14Cl2O2PS, has the CAS number 97-17-6. It appears as a white crystalline solid with a slight odor. Its basic structure consists of two chlorine atoms, one oxygen atom, one phosphorus atom, one sulfur atom, and ten carbon atoms. This compound is slightly soluble in water. Dichlofenthion may cause irritation to the skin and eyes. It is also harmful if swallowed or inhaled. When exposed to high temperatures, it may emit toxic fumes. It is important to take immediate steps to prevent its spread to the environment. Dichlofenthion can contaminate soil and water if not properly handled and disposed of.

Applicable Fields

Agriculture: Dichlofenthion is commonly used as an insecticide in agriculture. Its purpose in this field is to control a wide range of pests, including aphids, mites, and whiteflies. The mechanism of action involves inhibiting the activity of acetylcholinesterase, an enzyme essential for the proper functioning of the nervous system in insects. By disrupting the nervous system, dichlofenthion effectively kills the targeted pests.

Public Health: Dichlofenthion is also used in public health programs to control disease-carrying insects, such as mosquitoes. Its mechanism of action in this context is similar to its use in agriculture, where it disrupts the nervous system of the insects, leading to their death. This helps reduce the transmission of diseases, such as malaria and dengue fever, which are spread by mosquitoes.

Storage

Conditions: Store in a cool and dry place, away from direct sunlight.

3.2 Usage
Nematocide, insecticide.
4. Safety and Handling
4.1 Octanol/Water Partition Coefficient
LogP= 5.14
4.2 Safety Profile
Poison by ingestion and skin contact. A very toxic insecticide. Mutation data reported. See also ESTERS and PARATHION. When heated to decomposition it emits very toxic fumes of POx, SOx, and Cl-. DICHLOFENTHION Preparation Products And Raw materials Raw materials
4.3 Formulations/Preparations
'MOBILAWN': EC (250 & 750 G AI/L); GRANULES (100 G/KG).
V-C 13 NEMACIDE: 80% AI AND 20% EMULSIFIER.
EMULSIFIABLE CONCENTRATE
TECHNICAL PRODUCT IS OF 95-97% PURITY.
Mixed formulations: (dichlofenthion +) thiram
4.4 Safety

Poison by ingestion and skin contact. A very toxic insecticide. Mutation data reported. See also ESTERS and PARATHION. When heated to decomposition it emits very toxic fumes of POx, SOx, and Cl.
Safety Information of Dichlorofenthion (CAS NO.97-17-6):
Hazard Codes: Xn,N
Risk Statements: 22-50/53 
22:  Harmful if swallowed
50:  Very Toxic to aquatic organisms
53:  May cause long-term adverse effects in the aquatic environment
Safety Statements: 60-61
60:  This material and/or its container must be disposed of as hazardous waste 
61:  Avoid release to the environment. Refer to special instructions safety data sheet 

4.5 Specification

 Dichlorofenthion ,its CAS NO. is 97-17-6,the synonyms is  Ecp ; Nemacide vc-13(r) ; O-2,4-dichlorophenyl-o,o-diethyl-phosphorothioate ; O-(2 4-dichlorophenyl) o o-diethylphosphorothionate ; Phosphorothioic acid o-(2,4-dichlorophenyl) o,o-diethyl ester ; O,o-diethyl-o-(2,4-dichlorophenyl)-phosphorothioate ; Mobilawn(r) .

4.6 Toxicity
1.    

sce-hmn:lyms 2 mg/L

    MUREAV    Mutation Research. 102 (1982),89.
2.    

orl-rat LD50:172 mg/kg

    FAATDF    Fundamental and Applied Toxicology. 7 (1986),299.
3.    

skn-rat LD50:355 mg/kg

    FAATDF    Fundamental and Applied Toxicology. 7 (1986),299.
4.    

skn-rbt LD50:6000 mg/kg

    31ZOAD    Pesticide Manual. 1 (1968),136.
5.    

orl-pgn LD50:75 mg/kg

    ASTTA8    ASTM Special Technical Publication .(American Society for Testing Materials,Philadelphia, PA.: )1979,157.
6.    

orl-ckn LD50:148 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 11 (1967),49.
7.    

orl-qal LD50:316 mg/kg

    ASTTA8    ASTM Special Technical Publication .(American Society for Testing Materials,Philadelphia, PA.: )1979,157.
8.    

orl-mam LD50:270 mg/kg

    FMCHA2    Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C160.
9.    

orl-bwd LD50:14 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 21 (1972),315.
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H400 Very toxic to aquatic life

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Synthesis Route
97-17-6Total: 3 Synthesis Route
   
97-17-6
97-17-6 27 Suppliers
 
2524-04-1
2524-04-1
 
120-83-2
120-83-2 160 Suppliers
 
97-17-6
97-17-6 27 Suppliers
7. Precursor and Product
precursor:
product:
8. Computed Properties
  • Molecular Weight:315.153181g/mol
  • Molecular Formula:C10H13Cl2O3PS
  • Compound Is Canonicalized:True
  • XLogP3-AA:313.9700078
  • Monoisotopic Mass:313.9700078
  • Complexity:270
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:59.8
  • 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:AAADccBwMAJGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAACAACAagkCIyBoAAARCAACBCAAACAAAgJUAIiAAGC4gIJiKBExKAMAAkwBEIiAeAQAAAACAAAACACAAAQAAAAQAQAAAAAAAAAA==
9.Other Information
Merck
13,3069
BRN
1993440
Uses
Nematocide, insecticide.
Safety Profile
Poison by ingestion and skin contact. A very toxic insecticide. Mutation data reported. See also ESTERS and PARATHION. When heated to decomposition it emits very toxic fumes of POx, SOx, and Cl-.
用途

Dichlofenthion is a phosphorothioate which is primarily used as a pesticide and nematicide.
10. Toltal 23 Suppliers View more
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