| Identification | Back 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 Properties | Back 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 Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
WGK 3 | [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, |
| Hazard Information | Back 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 |
|
|