1-nitrobenzo(a)pyrene

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Names

[ CAS No. ]:
70021-99-7

[ Name ]:
1-nitrobenzo(a)pyrene

[Synonym ]:
2-NITROBENZENE-1,4-DIOIC ACID
2-nitro-4-benzenedicarboxylicacid
1-nitrobenzene-2,5-dicarboxylic acid
2-Nitro-p-phthalic acid
3-Nitroterephthalic acid
Nitroterephthalic acid 25GR
nitro-terephthalic acid
2-nitrobenzene-1,4-dicarboxylic acid
2-nitro-1,4-benzenedicarboxylic acid
2-NITRO-1,4-DIBENZOIC ACID
2-nitroterephthalic acid

Chemical & Physical Properties

[ Molecular Formula ]:
C20H11NO2

[ Molecular Weight ]:
297.30700

[ Exact Mass ]:
297.07900

[ PSA ]:
45.82000

[ LogP ]:
6.16860

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ7878000
CHEMICAL NAME :
Benzo(a)pyrene, 1-nitro-
CAS REGISTRY NUMBER :
70021-99-7
LAST UPDATED :
199801
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C20-H11-N-O2
MOLECULAR WEIGHT :
297.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA adduct
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
80 ug/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 379,43,1997

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-nitro-7,8,9,10-tetrahydrobenzo(a)pyrene
  • 1-nitrobenzo[a]pyrene-6-carboxylic acid
  • 7,8,9,10-Tetrahydrobenzo[pqr]tetraphene
  • Benzo(a)pyrene
  • n-hexyl 1-nitrobenzo[a]pyrene-6-carboxylate

DownStream

Related Compounds

  • 9,10-Dihydro-1-nitrobenzo(a)pyrene
  • 1-nitrobenzo(a)pyrene-7,8-diol-9,10-epoxide
  • 1-nitrobenzo[a]pyrene-6-carboxylic acid
  • 1-nitrobenzo[a]pyrene-6-carbonitrile
  • n-hexyl 1-nitrobenzo[a]pyrene-6-carboxylate
  • 1-nitrobenzo[a]pyren-6-ol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • tert-butyl N-(1,5-diethylpiperidin-3-yl)carbamate
  • 2-(Chloromethyl)-4-mercaptobenzo[d]oxazole
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-(5-Methoxy-1,3-dimethyl-1h-pyrazol-4-yl)cyclopropan-1-amine
  • (4AS,7aR)-methyl 1-((tert-butyldimethylsilyl)oxy)-7-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • Ethyl 6,8-dimethylimidazo[1,2-a]pyrazine-2-carboxylate hydrobromide
  • 3-[1-(1-Aminoethyl)cyclopropyl]phenol
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-