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)
  • tert-butyl ((3-oxo-1-phenylhexahydro-1H-pyrrolo[1,2-c][1,3]oxazin-7-yl)methyl)carbamate
  • rac-N-((2R,4S,6R)-2-methyl-6-(4-nitrophenyl)tetrahydro-2H-pyran-4-yl)acetamide
  • N-(2-(3,5-difluorophenyl)-6-(2-(1,3-dioxoisoindolin-2-yl)ethyl)tetrahydro-2H-pyran-4-yl)-2,2,2-trifluoroacetamide
  • (5aR,10aS)-1-ethyl-10a-methyldecahydroazepino[3,2-b]azepin-2(1H)-one hydrochloride
  • rac-(3R,4S)-4-(3-(acetamidomethyl)phenyl)pyrrolidine-3-carboxamide hydrochloride
  • 5-Chloro-2-(4-methylpiperidin-4-yl)thiazole hydrochloride
  • N,N-dimethyl-6-(piperidin-3-yl)-2-(pyridin-3-yl)pyrimidin-4-amine dihydrochloride
  • 5-(Azepan-4-ylmethyl)-N,N-dimethylpyrazin-2-amine dihydrochloride
  • 1-(9-Hydroxy-2-(piperidin-3-yl)-5,6-dihydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl)propan-1-one dihydrochloride
  • N-((2-methyl-7-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)methyl)acetamide dihydrochloride
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