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
  • Methyl 2-amino-3-methyl-3-(pyrazin-2-yl)butanoate
  • Methyl 4-(azetidin-3-yloxy)-2-chlorobenzoate
  • Tert-butyl 4-[1-(aminooxy)ethyl]-3-methylpiperidine-1-carboxylate
  • 1-(2-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
  • 7-(Thiophen-3-yl)thieno[3,2-c]pyridine-2-carboxylic acid
  • 2-[(Tert-butoxy)carbonyl]-7-(ethoxycarbonyl)-2-azabicyclo[4.1.0]heptane-3-carboxylic acid
  • 3-Methyl-4-[({3-oxaspiro[bicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-yl}methyl)carbamoyl]butanoic acid
  • O-[1-(2,3-dimethylphenyl)ethyl]hydroxylamine
  • 1,1-dioxo-2-(propan-2-yl)-2H,3H,4H-1lambda6-pyrazolo[1,5-e][1,2,5]thiadiazine-8-carboxylic acid
  • 3-Methyl-5-{octahydrocyclopenta[b]pyrrol-1-yl}-5-oxopentanoic acid
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