3-nitrobenzo(a)pyrene

Modify Date: 2025-09-11 21:09:54

3-nitrobenzo(a)pyrene Structure
3-nitrobenzo(a)pyrene structure
Common Name 3-nitrobenzo(a)pyrene
CAS Number 70021-98-6 Molecular Weight 297.30700
Density 1.429g/cm3 Boiling Point 533.5ºC at 760 mmHg
Molecular Formula C20H11NO2 Melting Point N/A
MSDS N/A Flash Point 265.4ºC

 Names

Name 3-nitrobenzo[a]pyrene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.429g/cm3
Boiling Point 533.5ºC at 760 mmHg
Molecular Formula C20H11NO2
Molecular Weight 297.30700
Flash Point 265.4ºC
Exact Mass 297.07900
PSA 45.82000
LogP 6.16860
Index of Refraction 1.901
InChIKey CQIJHYPCKYZMIV-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc2ccc3c4ccccc4cc4ccc1c2c43

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ7880000
CHEMICAL NAME :
Benzo(a)pyrene, 3-nitro-
CAS REGISTRY NUMBER :
70021-98-6
LAST UPDATED :
199801
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C20-H11-N-O2
MOLECULAR WEIGHT :
297.32
WISWESSER LINE NOTATION :
L D6 B6666 2AB TJ ONW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA adduct
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
40 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

~99%

3-nitrobenzo(a)pyrene Structure

3-nitrobenzo(a)...

CAS#:70021-98-6

Literature: Chou, M. W.; Heflich, R. H.; Casciano, D. A.; Miller, D. W.; Freeman, J. P.; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 9 p. 1156 - 1161

~25%

3-nitrobenzo(a)pyrene Structure

3-nitrobenzo(a)...

CAS#:70021-98-6

Literature: Dyker, Gerald; Kadzimirsz, Daniel; Thoene, Andreas European Journal of Organic Chemistry, 2003 , # 16 p. 3162 - 3166

~%

3-nitrobenzo(a)pyrene Structure

3-nitrobenzo(a)...

CAS#:70021-98-6

Literature: Chou, M. W.; Heflich, R. H.; Casciano, D. A.; Miller, D. W.; Freeman, J. P.; et al. Journal of Medicinal Chemistry, 1984 , vol. 27, # 9 p. 1156 - 1161

~%

3-nitrobenzo(a)pyrene Structure

3-nitrobenzo(a)...

CAS#:70021-98-6

Literature: Dyker, Gerald; Kadzimirsz, Daniel; Thoene, Andreas European Journal of Organic Chemistry, 2003 , # 16 p. 3162 - 3166

~%

3-nitrobenzo(a)pyrene Structure

3-nitrobenzo(a)...

CAS#:70021-98-6

Literature: Johansen, Einar; Sydnes, Leiv K.; Greibrokk, Tyge Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1984 , vol. 38, # 4 p. 309 - 318

~0%

3-nitrobenzo(a)pyrene Structure

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CAS#:70021-98-6

Detail
Literature: Fukuhara; Miyata; Matsui; Ishidata Jr.; Kamiya Chemical and Pharmaceutical Bulletin, 1990 , vol. 38, # 11 p. 3158 - 3161

~%

3-nitrobenzo(a)pyrene Structure

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CAS#:70021-98-6

Detail
Literature: Ishii, Satoko; Hisamatsu, Yoshiharu; Inazu, Koji; Kobayashi, Takaaki; Aika, Ken-ichi Chemosphere, 2000 , vol. 41, # 11 p. 1809 - 1819

~%

3-nitrobenzo(a)pyrene Structure

3-nitrobenzo(a)...

CAS#:70021-98-6

Detail
Literature: Ishii, Satoko; Hisamatsu, Yoshiharu; Inazu, Koji; Kobayashi, Takaaki; Aika, Ken-ichi Chemosphere, 2000 , vol. 41, # 11 p. 1809 - 1819

~%

3-nitrobenzo(a)pyrene Structure

3-nitrobenzo(a)...

CAS#:70021-98-6

Literature: Dyker, Gerald; Kadzimirsz, Daniel; Thoene, Andreas European Journal of Organic Chemistry, 2003 , # 16 p. 3162 - 3166

 Synonyms

BENZO(a)PYRENE,3-NITRO
3-Nitrobenzo(a)pyrene
3-Nitrobenz(a)pyrene
3-Nitro-benzo[def]chrysene
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