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 N-(2-methyl-4-sulfamoylphenyl)carbamate
  • 1,1,2,2-Tetrafluoro-3-isocyanatobutane
  • 1-(1,3,5-Trimethyl-1H-pyrazol-4-YL)methanamine trihydrochloride
  • 2-[(1S)-1-Aminobutyl]-4-fluoroaniline dihydrochloride
  • 3-Amino-3-(4-(dimethylamino)phenyl)propanoic acid dihydrochloride
  • (2R)-2-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]-3-hydroxypropanoic acid
  • 2-Amino-3-(3-methylfuran-2-yl)propan-1-ol
  • 3-Amino-3-(4-bromo-3-methylphenyl)propanoic acid hydrochloride
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(1-propylcyclopropyl)methyl]carbamoyl}propanoic acid
  • Methyl (3R)-3-amino-3-[4-(dimethylamino)phenyl]propanoate dihydrochloride
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