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-
  • 1-Benzyl-7-chloro-3-((ethylsulfonyl)methyl)-1,2,3,4-tetrahydro-1,5-naphthyridine
  • 7-((Ethylsulfonyl)methyl)-5,6,7,8-tetrahydro-1,5-naphthyridin-3-amine
  • Ethyl 4-((4-fluorophenyl)sulfonyl)-6-nitro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate
  • 1-(2-fluorophenyl)-N-(2-hydroxy-2,2-di(thiophen-2-yl)ethyl)methanesulfonamide
  • N-(2-hydroxy-2,2-di(thiophen-2-yl)ethyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepine-7-sulfonamide
  • N-(2-hydroxy-2,2-di(thiophen-2-yl)ethyl)-1-isopropyl-1H-imidazole-4-sulfonamide
  • N-[2-hydroxy-2,2-bis(thiophen-2-yl)ethyl]-1-methyl-2-(propan-2-yl)-1H-imidazole-4-sulfonamide
  • 3,3,3-trifluoro-N-(2-hydroxy-2,2-di(thiophen-2-yl)ethyl)propane-1-sulfonamide
  • 4-cyano-N-(2-hydroxy-2,2-di(thiophen-2-yl)ethyl)benzenesulfonamide
  • N-(2-hydroxy-2,2-di(thiophen-2-yl)ethyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide
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