1H-Azepine-1-acetonitrile,hexahydro-

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Names

[ CAS No. ]:
54714-50-0

[ Name ]:
1H-Azepine-1-acetonitrile,hexahydro-

[Synonym ]:
1-azepanylacetonitrile
N-cyanomethylperhydroazepine
EINECS 259-302-8
azepan-1-ylacetonitrile
hexahydroazepin-1-yl-acetonitrile
hexahydro-1H-azepine-1-acetonitrile
Acetonitrile,(hexahydro-1H-azepin-1-yl)
Hexamethylenimino-acetonitril
Hexahydroazepin-1-yl-acetonitril
Hexahydro-azepinyl-(1)-acetonitril

Chemical & Physical Properties

[ Density]:
0.96

[ Boiling Point ]:
110ºC (18 mmHg)

[ Molecular Formula ]:
C8H14N2

[ Molecular Weight ]:
138.21000

[ Flash Point ]:
84.2ºC

[ Exact Mass ]:
138.11600

[ PSA ]:
27.03000

[ LogP ]:
1.32388

[ Index of Refraction ]:
1.4725-1.4765

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CM2500000
CHEMICAL NAME :
1H-Azepine-1-acetonitrile, hexahydro-
CAS REGISTRY NUMBER :
54714-50-0
BEILSTEIN REFERENCE NO. :
0110233
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H14-N2
MOLECULAR WEIGHT :
138.24
WISWESSER LINE NOTATION :
T7NTJ A1CN

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 :
18 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#07820

Safety Information

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
UN 3276

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Azepane
  • cyanogen
  • 2-chloroacetonitrile
  • Formaldehyde
  • Sodium cyanide

DownStream

  • 2-(azepan-1-yl)-N'-hydroxyethanimidamide
  • N-2-AMINOETHYLHOMOPIPERIDINE

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 1H-Azepine-1-carbothioamide,hexahydro-N-2-propenyl-(9CI)
  • 1H-Azepine-1-propanoicacid, hexahydro-a-methyl-, methyl ester
  • 1H-Azepine-1-carboxamide,hexahydro-N-hydroxy-(9CI)
  • 1H-Azepine-1-propanenitrile,hexahydro-
  • 1H-Azepine-1-ethanol,hexahydro-beta-methyl-(9CI)
  • 1H-Azepine-1-carboxaldehyde, hexahydro-2-methoxy- (9CI)