2-chloro-3-isothiocyanato-prop-1-ene
Names
[ CAS No. ]:
14214-31-4
[ Name ]:
2-chloro-3-isothiocyanato-prop-1-ene
[Synonym ]:
2-Chlor-allylisothiocyanat
2-Chloro-3-isothiocyanato-1-propene
2-Chloro-3-isothiocyanatopropene
2-Chloro allyl isothiocyanate
ISOTHIOCYANIC ACID,2-CHLOROALLYL ESTER
2-chloro-2-propenyl isothiocyanate
Chemical & Physical Properties
[ Density]:
1.12g/cm3
[ Boiling Point ]:
182ºC at 760 mmHg
[ Melting Point ]:
-56.5 °C
[ Molecular Formula ]:
C4H4ClNS
[ Molecular Weight ]:
133.59900
[ Flash Point ]:
63.9ºC
[ Exact Mass ]:
132.97500
[ PSA ]:
44.45000
[ LogP ]:
1.84170
[ Vapour Pressure ]:
1.13mmHg at 25°C
[ Index of Refraction ]:
1.516
[ Storage condition ]:
2-8°C
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX8455000
- CHEMICAL NAME :
- Isothiocyanic acid, 2-chloroallyl ester
- CAS REGISTRY NUMBER :
- 14214-31-4
- BEILSTEIN REFERENCE NO. :
- 1748580
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C4-H4-Cl-N-S
- MOLECULAR WEIGHT :
- 133.60
- WISWESSER LINE NOTATION :
- SCN1YGU1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#09496
Safety Information
[ Hazard Codes ]:
T
[ Risk Phrases ]:
25
[ Safety Phrases ]:
45
[ RIDADR ]:
UN 2811 6.1 / PGIII
[ HS Code ]:
2930909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2930909090
[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%