Ethyl 4-isocyanobutanoate

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Names

[ CAS No. ]:
5096-13-9

[ Name ]:
Ethyl 4-isocyanobutanoate

[Synonym ]:
N-benzylnicotinamide chloride
N-benzyl-3-carbamoylpyridinium chloride
1-benzylnicotinamide chloride
3-carbamoyl-1-benzylpyridinium chloride
3-aminocarbonyl-1-benzylpyridinium chloride
1-benzyl-3-carbamoylpyridinium chloride

Chemical & Physical Properties

[ Molecular Formula ]:
C13H13ClN2O

[ Molecular Weight ]:
248.70800

[ Exact Mass ]:
248.07200

[ PSA ]:
46.97000

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UU2350000
CHEMICAL NAME :
Pyridinium, 1-benzyl-3-carbamoyl-, chloride
CAS REGISTRY NUMBER :
5096-13-9
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H13-N2-O.Cl
MOLECULAR WEIGHT :
248.73
WISWESSER LINE NOTATION :
T6KJ A1R CVZ &G

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
308 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,44,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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#03579

Safety Information

[ HS Code ]:
2933399090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2933399090

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • ethyl 4-methylimino-1-azaspiro[4.5]decane-1-carboxylate
  • ethyl 4-oxo-1-azaspiro[4.5]decane-1-carboxylate
  • ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate
  • ethyl 4-[[1-benzyl-1H-benzimidazol-2-yl]amino]piperidine-1-carboxylate
  • Ethyl 4-methylpyrimidine-5-carboxylate
  • ETHYL-4-THIAZOLOYL-ACETATE
  • Tert-butyl N-[(2S,4R)-2-(2-methoxyphenyl)piperidin-4-yl]carbamate
  • 2-Oxabicyclo[2.2.2]octan-4-ylmethanesulfonyl chloride
  • N-[(1-aminocycloheptyl)methyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide
  • 5-Methyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopyridazine-4-carboxylic acid
  • 6-chloro-N-[3-(dimethylamino)propyl]-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidin-4-amine
  • 6-chloro-N-(2-methoxyethyl)-5-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidin-4-amine
  • 2-({5-[(4-Methoxyphenyl)methyl]-4,6-dimethylpyrimidin-2-yl}sulfanyl)acetic acid
  • 2-(4-Ethoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
  • Methyl 3'-fluoro-6-hydroxy-[1,1'-biphenyl]-3-carboxylate
  • 4-{[(2,4-Diaminoquinazolin-5-yl)oxy]methyl}benzenesulfonyl fluoride
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