1-Benzoyl-1, 2-dihydro-2-quinolinecarbonitrile

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Names

[ CAS No. ]:
13721-17-0

[ Name ]:
1-Benzoyl-1, 2-dihydro-2-quinolinecarbonitrile

[Synonym ]:
benzoyl-1 cyano-2 dihydro-1,2 quinoleine
1-(phenylcarbonyl)-1,2-dihydroquinoline-2-carbonitrile
1-benzoyl-1,2-dihydroquinoline-2-carbonitrile
N-benzoyl-1,2-dihydroquinaldonitrile
1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile
1-benzoyl-2-cyano-1,2-dihydroquinoline
Quinaldonitrile,1-benzoyl-1,2-dihydro
quinoline Reissert compound
1-benzoyl-1,2-dihydroquinaldonitrile
1-benzoyl-2-cyanoquinoline
2-Quinolinecarbonitrile,1-benzoyl-1,2-dihydro

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
479.8ºC at 760 mmHg

[ Molecular Formula ]:
C17H12N2O

[ Molecular Weight ]:
260.29000

[ Flash Point ]:
244ºC

[ Exact Mass ]:
260.09500

[ PSA ]:
44.10000

[ LogP ]:
3.31738

[ Vapour Pressure ]:
2.29E-09mmHg at 25°C

[ Index of Refraction ]:
1.671

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VB1025000
CHEMICAL NAME :
2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-
CAS REGISTRY NUMBER :
13721-17-0
BEILSTEIN REFERENCE NO. :
0232716
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H12-N2-O
MOLECULAR WEIGHT :
260.31
WISWESSER LINE NOTATION :
T66 BN CHJ BVR& CCN

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#06981

Safety Information

[ HS Code ]:
2933499090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Trimethylsilyl cyanide
  • Benzoyl chloride
  • leucoline
  • tri-n-butylcyanotin
  • HYDROGEN CYANIDE
  • Acetone cyanohydrin
  • POTASSIUM CYANIDE
  • (Cyano-κC)(diethyl)aluminium
  • benzene

DownStream

  • 4-Methoxyquinoline
  • 3-Bromoquinoline
  • Quinoline-2-carboxylic acid
  • quinoline-2-carboxamide
  • Benzaldehyde
  • quinaldonitrile
  • benzoic acid
  • Quinoline, 3-nitro-
  • Methyl 2-quinolinecarboxylate
  • 4-ETHOXY-QUINOLINE

Customs

[ HS Code ]: 2933499090

[ Summary ]:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2-(1-benzoyl-1,2-dihydro-2-quinolinyl)-1-phenylethanone
  • 1-methyl-1-(1-benzoyl-1,2-dihydro-2-quinolyl)benzimidazole
  • [2-(2-methyl-1H-indol-3-yl)-2H-1,8-naphthyridin-1-yl]-phenylmethanone
  • 1-Isoquinolinecarboxamide,2-benzoyl-1,2-dihydro-
  • 2-Quinolinecarbonitrile,1-benzoyl-1,2-dihydro-6-methoxy-
  • 6-ethoxy-1-benzoyl-1,2-dihydro-quinoline-2-carbonitrile
  • 4-[(3S)-3-aminobutyl]-N,N-diethylaniline
  • 5-[(3S)-3-aminobutyl]-2-methoxyphenol
  • 2-(4,5,6,7-Tetrahydro-1-benzothiophen-3-yl)butanoic acid
  • (1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]ethan-1-ol
  • (2S)-4-[1-(propan-2-yl)-1H-pyrazol-4-yl]butan-2-amine
  • 1-(1-Bromo-2-methylpropan-2-yl)-2-methylcyclohexane
  • 1-(2,2-Dimethylbut-3-yn-1-yl)adamantane
  • (2S)-4-(adamantan-1-yl)butan-2-amine
  • 2-{2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3,3,3-trifluoro-N-(2-methylpropyl)propanamido}acetic acid
  • 2-[(Adamantan-1-yl)methyl]azetidine
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