2-chloro-3-isothiocyanato-prop-1-ene

CAS：14214-31-4 | 2-chloro-3-isothiocyanato-prop-1-ene | Whchem

CAS: 14214-31-4

Other Names

2-chloro-3-isothiocyanato-prop-1-ene;2-chloro allyl isothiocyanate;2-Chloro-2-propenyl isothiocyanate;2-Chloro-3-isothiocyanatopropene;"1-PROPENE 2-CHLORO-3-ISOTHIOCYANATO-;2-chloropropene isothiocyanate;2-Chloro-3-isothiocyanato-1-propene;2-Chloro-3-isothiocyanatopropene

Structure - 2-chloro-3-isothiocyanato-prop-1-ene

Molecular Formula

Purity

>98%

Molecular Weight

133.6 g/mol

EINECS

604-275-3

Structure Available Verified Product

English Name	2-chloro-3-isothiocyanato-prop-1-ene
English Synonyms	2-chloro-3-isothiocyanato-prop-1-ene;2-chloro allyl isothiocyanate;2-Chloro-2-propenyl isothiocyanate;2-Chloro-3-isothiocyanatopropene;"1-PROPENE 2-CHLORO-3-ISOTHIOCYANATO-;2-chloropropene isothiocyanate;2-Chloro-3-isothiocyanato-1-propene;2-Chloro-3-isothiocyanatopropene
CAS Number	14214-31-4
Molecular Formula	C4H4ClNS
Molecular Weight	133.6 g/mol
EINECS Number	604-275-3
Related Categories
Mol File	Download MOL File
Structure Image

Property	Value
Boiling point	182°C
Density	1.2700
Vapor pressure	95-629 Pa at 20-50°C
Refractive index	1.5560 (estimate)
Form	Solid
InChI	InChI=1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2
InChIKey	DGBFPSVUFUDQNA-UHFFFAOYSA-N
SMILES	C=C(CN=C=S)Cl

2-chloro-3-isothiocyanato-prop-1-ene (CAS 14214-31-4) is a high-purity fine chemical intermediate widely used in organic synthesis, pharmaceutical R&D, agrochemical manufacturing and specialty chemical applications.

As a professional supplier, Zhengzhou Whchem provides 2-chloro-3-isothiocyanato-prop-1-ene with >98% purity, COA, structure confirmation and flexible packaging, available from research quantities to commercial scale with global shipping.

Category	Description (English Translation)
Uses & Synthesis Methods 2-Chloroallyl Isothiocyanate	Chemical Properties: This compound is a colorless liquid with b.p. 73-76°C / 2.4 kPa. It is insoluble in water but soluble in organic solvents. Uses: 2-Chloroallyl isothiocyanate is an intermediate used in the production of insecticides such as thiamethoxam and clothianidin. Production Method: In a reaction vessel, acetonitrile solvent, 2,3-dichloropropene, and sodium thiocyanate are added. In the presence of a catalyst, the mixture is heated under reflux for 3.5 hours. After the reaction is complete, insoluble materials are filtered off. The filtrate is concentrated, then dichloromethane is added, and insoluble materials are filtered off again. The remaining residue is further concentrated, heated in an oil bath to 140°C for 1 hour, and then distilled under reduced pressure to obtain the product. Reaction Equation: CH₂=CHClCH₂Cl + NaSCN → CH₂=CHClCH₂NCS

Category

Description (English Translation)

Uses & Synthesis Methods

2-Chloroallyl Isothiocyanate

Chemical Properties: This compound is a colorless liquid with b.p. 73-76°C / 2.4 kPa. It is insoluble in water but soluble in organic solvents.

Uses: 2-Chloroallyl isothiocyanate is an intermediate used in the production of insecticides such as thiamethoxam and clothianidin.

Production Method: In a reaction vessel, acetonitrile solvent, 2,3-dichloropropene, and sodium thiocyanate are added. In the presence of a catalyst, the mixture is heated under reflux for 3.5 hours. After the reaction is complete, insoluble materials are filtered off. The filtrate is concentrated, then dichloromethane is added, and insoluble materials are filtered off again. The remaining residue is further concentrated, heated in an oil bath to 140°C for 1 hour, and then distilled under reduced pressure to obtain the product.

Reaction Equation: CH₂=CHClCH₂Cl + NaSCN → CH₂=CHClCH₂NCS

Category	Value
Hazard Symbol	T
Hazard Codes (R Phrases)	25
Safety Codes (S Phrases)	45
UN Number	UN 2811 6.1 / PG III
WGK Germany	WGK 3
HS Code (Customs)	2930909899
Storage Category	6.1C - Flammable, Acute Toxicity Category 3 toxic compounds or compounds causing chronic effects
Hazard Classification	Acute Toxicity Category 3 (Oral)
Toxicity	Mouse, LD50, intravenous, 56 mg/kg (56 mg/kg). U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09496

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2-chloro-3-isothiocyanato-prop-1-ene

CAS：14214-31-4 | 2-chloro-3-isothiocyanato-prop-1-ene | Whchem

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