Thiocyanic acid, 3-chloro-2-propenyl ester

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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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,3-dichloropropene
  • Potassium thiocyanate

DownStream

Related Compounds

  • (3-chloro-2-methylprop-2-enyl) thiocyanate
  • prop-2-enyl 3-chloropropanoate
  • prop-2-enyl 3-chlorobenzoate
  • prop-2-enyl 3-chlorobenzenesulfonate
  • Propanoic acid,3-chloro-2-hydroxy-,2-propenyl ester (9CI)
  • Carbamic acid,(3-chlorophenyl)-, 2-chloro-2-propenyl ester (9CI)
  • 2-(2-Amino-1,3-oxazol-5-yl)-6-fluorophenol
  • 2-Methyl-4-(pyrrolidin-1-yl)butanal
  • 2'-(Methylsulfonyl)-7',8'-dihydro-5'H-spiro[cyclopropane-1,6'-pyrido[3,4-d]pyrimidine]
  • 4-(3-Bromo-4-methylthiophen-2-yl)-2-methylbutan-2-amine
  • 4-(1-azido-2-hydroxyethyl)-N,N-dimethylbenzamide
  • 2-fluoro-N,N-dimethyl-4-[(2R)-oxiran-2-yl]aniline
  • methyl (3S)-3-(5-fluoro-2-hydroxyphenyl)-3-hydroxypropanoate
  • tert-butyl N-[1-(2-fluoro-4-nitrophenyl)-2-oxoethyl]-N-methylcarbamate
  • [2-(8-Methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl](methyl)amine
  • rac-(1R,3R)-3-(1-tert-butyl-1H-pyrazol-4-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
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