Isothiocyanic acid, carbobutoxymethyl ester

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Names

[ CAS No. ]:
58511-01-6

[ Name ]:
Isothiocyanic acid, carbobutoxymethyl ester

[Synonym ]:
ISOTHIOCYANIC ACID,BUTOXYCARBONYLMETHYL ESTER
Isothiocyanic acid,carbobutoxymethyl ester

Chemical & Physical Properties

[ Density]:
1.07g/cm3

[ Boiling Point ]:
244ºC at 760 mmHg

[ Molecular Formula ]:
C7H11NO2S

[ Molecular Weight ]:
173.23300

[ Flash Point ]:
101.4ºC

[ Exact Mass ]:
173.05100

[ PSA ]:
70.75000

[ LogP ]:
1.43250

[ Index of Refraction ]:
1.496

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8420000
CHEMICAL NAME :
Isothiocyanic acid, butoxycarbonylmethyl ester
CAS REGISTRY NUMBER :
58511-01-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H11-N-O2-S
MOLECULAR WEIGHT :
173.25
WISWESSER LINE NOTATION :
SCN1VO4

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#07919

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • GLYCINE N-BUTYL ESTER HYDROCHLORIDE

DownStream

Related Compounds

  • 2,3,3-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL ISOTHIOCYANATE
  • Isothiocyanic acid, (p-cetoxyphenyl) ester
  • Isothiocyanic acid, 2-cyclopentylethyl ester (8CI)
  • Isothiocyanic acid, p-(chloroacetyl)phenyl ester (7CI)
  • Isothiocyanic acid, 1,5-naphthylene ester
  • Isothiocyanic acid, 3-oxo-1-butenyl ester (7CI)
  • 4-(2-Isocyanatopropan-2-yl)benzonitrile
  • 4-(1-Cyanoethyl)benzonitrile
  • 4-(1-Acetylcyclopropyl)benzonitrile
  • Methyl 6-amino-2,3-difluorophenylacetate
  • 3-(1-Aminocyclopentyl)aniline
  • 2-(1-Amino-2-methylpropan-2-yl)pyridin-3-amine
  • 2-Methyl-2-(3-nitropyridin-2-yl)propanenitrile
  • 1-(2-Nitrophenyl)cyclopentan-1-amine
  • 1-(2-Nitrophenyl)cyclopentanemethanamine
  • 1,1,1-Trifluoro-3-(2-nitrophenyl)propan-2-amine
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