Thiocyanic acid, 3-chloro-2-propenyl ester
Names
[ CAS No. ]:
76855-01-1
[ Name ]:
Thiocyanic acid, 3-chloro-2-propenyl ester
[Synonym ]:
3-chloro-allyl thiocyanate
Thiocyanic acid,3-chloro-2-propenyl ester
3-Chlor-allylthiocyanat
Thiocyanic acid,3-chloroallyl ester
3-chloroprop-2-en-1-yl thiocyanate
1-Chlor-3-thiocyanatopropen
Chemical & Physical Properties
[ Density]:
1.249g/cm3
[ Boiling Point ]:
224.3ºC at 760 mmHg
[ Molecular Formula ]:
C4H4ClNS
[ Molecular Weight ]:
133.59900
[ Flash Point ]:
89.5ºC
[ Exact Mass ]:
132.97500
[ PSA ]:
49.09000
[ LogP ]:
1.95318
[ Index of Refraction ]:
1.537
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XK8561000
- CHEMICAL NAME :
- Thiocyanic acid, 3-chloroallyl ester
- CAS REGISTRY NUMBER :
- 76855-01-1
- BEILSTEIN REFERENCE NO. :
- 1748629
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C4-H4-Cl-N-S
- MOLECULAR WEIGHT :
- 133.60
- WISWESSER LINE NOTATION :
- NCS2U1G
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 :
- 13 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#09630