ChemicalBook--->CAS DataBase List--->14214-31-4

14214-31-4

14214-31-4 Structure

14214-31-4 Structure
IdentificationBack Directory
[Name]

2-chloro-3-isothiocyanato-prop-1-ene
[CAS]

14214-31-4
[Synonyms]

2-chloro allyl isothiocyanate
2-chloropropene isothiocyanate
2-Chloro-3-isothiocyanatopropene
2-Chloro-2-propenyl isothiocyanate
2-chloro-3-isothiocyanato-prop-1-ene
"1-PROPENE 2-CHLORO-3-ISOTHIOCYANATO-
[EINECS(EC#)]

604-275-3
[Molecular Formula]

C4H4ClNS
[MDL Number]

MFCD01716868
[MOL File]

14214-31-4.mol
[Molecular Weight]

133.6
Chemical PropertiesBack Directory
[Boiling point ]

182°C
[density ]

1.2700
[vapor pressure ]

95-629Pa at 20-50℃
[refractive index ]

1.5560 (estimate)
[form ]

solid
[InChI]

1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2
[InChIKey]

DGBFPSVUFUDQNA-UHFFFAOYSA-N
[SMILES]

C=C(CN=C=S)Cl
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

2930909899
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
[Toxicity]

mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09496,
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Chloromethane-->Sodium thiocyanate-->2,3-Dichloropropene
[Preparation Products]

2-Chloro-5-chloromethylthiazole
Hazard InformationBack Directory
[Chemical Properties]

colorless liquid, bp73~76℃/2.4kpa, insoluble in water, soluble in organic solvent.
[Uses]

2-chloro-3-isothiocyanato-prop-1-ene is an intermediate of insecticides thiamethoxam and clothianidin.
[Synthesis]

2-chloro-3-isothiocyanato-prop-1-ene was prepared by reacting 2,3-dichloropropene and sodium thiocyanate in acetonitrile, heating and refluxing for 3.5h in the presence of a catalyst. Reaction equation:
CH2=CHClCH2Cl+NaSCN→CH2=CHClCH2NCS
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