Benz[a]anthracene-7-acetonitrile

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Names

[ CAS No. ]:
63018-69-9

[ Name ]:
Benz[a]anthracene-7-acetonitrile

[Synonym ]:
2-benzo[a]anthracen-7-ylacetonitrile

Chemical & Physical Properties

[ Density]:
1.226g/cm3

[ Boiling Point ]:
525.7ºC at 760 mmHg

[ Molecular Formula ]:
C20H13N

[ Molecular Weight ]:
267.32400

[ Flash Point ]:
309.4ºC

[ Exact Mass ]:
267.10500

[ PSA ]:
23.79000

[ LogP ]:
5.21228

[ Index of Refraction ]:
1.754

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CV8975000
CHEMICAL NAME :
Benz(a)anthracen-7-acetonitrile
CAS REGISTRY NUMBER :
63018-69-9
BEILSTEIN REFERENCE NO. :
3335132
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H13-N
MOLECULAR WEIGHT :
267.34
WISWESSER LINE NOTATION :
L D6 B666J J1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Bacteria - Escherichia coli
DOSE/DURATION :
30 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 203,81,1988

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 7-CHLOROMETHYL BENZ(a)ANTHRACENE
  • POTASSIUM CYANIDE

DownStream

  • Benz[a]anthracene-7-acetic acid
  • benzo[j]aceanthrylene
  • Benz(e)aceanthrylene

Related Compounds

  • Benz[a]anthracene-7-acetic acid
  • Benz[a]anthracene, 7,12-dihydro-2-methyl-
  • Benz[a]anthracene-7-carboxylic acid
  • Benz[a]anthracene-7-thiol
  • Benz[a]anthracene-7,12-dione,1,8-dihydroxy-3-methyl-
  • Benz(a)anthracene, 7-bromomethyl-1-methyl-
  • Sodium 1H,1H,2H,2H-perfluoro(1,2-13C2)hexanesulfonate
  • 1,2-Dihydro-3,6-pyridazinedione copper(2+) salt (2:1)
  • 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid butyl ester
  • 2-[5-methyl-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]piperidine
  • (7-Methylquinolin-8-yl)methanol
  • 1-(3-Methyl-5-(piperidin-2-yl)-4H-1,2,4-triazol-4-yl)propan-2-ol
  • tert-butyl N-(2,5-dimethylpiperidin-4-yl)-N-methylcarbamate
  • 1-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
  • 1-(2-chloro-6-methylphenyl)-1H-pyrazole-5-sulfonamide
  • 2-[5-methyl-4-(3-methylbutyl)-4H-1,2,4-triazol-3-yl]morpholine
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