1H-Azepine-1-propanenitrile,hexahydro-

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Names

[ CAS No. ]:
937-51-9

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

[Synonym ]:
3-hexahydroazepin-1-yl-propionitrile
hexahydro-1H-azepine-1-propionitrile
3-Hexahydroazepin-1-yl-propionitril
3-Perhydroazepin-1-ylpropiononitrile
3-azepan-1-yl-propionitrile
EINECS 213-330-7
1H-Azepine-1-propionitrile,hexahydro

Chemical & Physical Properties

[ Density]:
0.935g/cm3

[ Boiling Point ]:
266.7ºC at 760mmHg

[ Molecular Formula ]:
C9H16N2

[ Molecular Weight ]:
152.23700

[ Flash Point ]:
108.2ºC

[ Exact Mass ]:
152.13100

[ PSA ]:
27.03000

[ LogP ]:
1.71398

[ Index of Refraction ]:
1.466

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG2480000
CHEMICAL NAME :
Propionitrile, 3-(hexahydro-1H-azepin-1-yl)-
CAS REGISTRY NUMBER :
937-51-9
BEILSTEIN REFERENCE NO. :
0110501
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H16-N2
MOLECULAR WEIGHT :
152.27
WISWESSER LINE NOTATION :
T7NTJ A2CN

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 :
32 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#07821

Safety Information

[ Risk Phrases ]:
20/21/22-36/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
UN 3276

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Azepane
  • Acrylonitrile

DownStream

  • 3-azepan-1-yl-propylamine

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-propanenitrile,hexahydro-2-oxo
  • (2E)-2-(1-Azepanylcarbonyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylonitrile
  • 1H-Azepine-1-ethanol,hexahydro-beta-methyl-(9CI)
  • 1H-Azepine-1-propanoicacid, hexahydro-a-methyl-, methyl ester
  • 1H-Azepine-1-carboxamide,hexahydro-N-hydroxy-(9CI)
  • 1H-Azepine-1-carboxamide,hexahydro-(9CI)
  • 1-(4-Chloro-3-methoxyphenyl)-3-iodobicyclo[1.1.1]pentane
  • 1-(2,6-Dichlorophenyl)-3-iodobicyclo[1.1.1]pentane
  • 1-(2,4-Dichlorophenyl)-3-iodobicyclo[1.1.1]pentane
  • Ethyl 7-chloro-5-(chloromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
  • 1-Methyl-3-(propan-2-yl)-3,4-dihydro-1lambda6,2,4-benzothiadiazin-1-one
  • Tert-butyl 9-oxo-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
  • Tert-butyl (4aS,8aS)-4a-(hydroxymethyl)-2,3,4,5,6,7,8,8a-octahydroquinoline-1-carboxylate
  • (3As,6R,6aR)-6-iodo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
  • Methyl 5-azaspiro[3.4]octane-2-carboxylate
  • Tert-butyl 2-hydroxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
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