CAS 63041-90-7|6-nitrobenz(a)pyrene

Introduction：Basic information about CAS 63041-90-7|6-nitrobenz(a)pyrene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles25
7. Synonyms

Common Name	6-nitrobenz(a)pyrene
CAS Number	63041-90-7	Molecular Weight	297.30700
Density	1.429g/cm3	Boiling Point	524.1ºC at 760 mmHg
Molecular Formula	C₂₀H₁₁NO₂	Melting Point	255.5°C
MSDS	/	Flash Point	259.5ºC

Names

Name	6-nitrobenzo[a]pyrene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.429g/cm3
Boiling Point	524.1ºC at 760 mmHg
Melting Point	255.5°C
Molecular Formula	C₂₀H₁₁NO₂
Molecular Weight	297.30700
Flash Point	259.5ºC
Exact Mass	297.07900
PSA	45.82000
LogP	6.16860
Index of Refraction	1.901
InChIKey	NMMAFYSZGOFZCM-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1c2ccccc2c2ccc3cccc4ccc1c2c43
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ7885000

CHEMICAL NAME :: Benzo(a)pyrene, 6-nitro-

CAS REGISTRY NUMBER :: 63041-90-7

BEILSTEIN REFERENCE NO. :: 2472924

LAST UPDATED :: 199612

DATA ITEMS CITED :: 14

MOLECULAR FORMULA :: C20-H11-N-O2

MOLECULAR WEIGHT :: 297.32

WISWESSER LINE NOTATION :: L D6 B6666 2AB TJ JNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: DNA adduct

TYPE OF TEST :: Mutation test systems - not otherwise specified

TYPE OF TEST :: DNA adduct

MUTATION DATA

TYPE OF TEST :: DNA adduct

TEST SYSTEM :: Mammal - species unspecified Lymphocyte

DOSE/DURATION :: 35 umol/L

REFERENCE :: GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75, 1907-84. For publisher information, see JJCREP. Volume(issue)/page/year: 74,5,1983 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,255,1989 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 46,255,1989 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 33,187,1984

Safety Information

Hazard Codes	Xn
HS Code	2904209090

Customs

HS Code	2904209090
Summary	2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles25

Comparative lung tumorigenicity of parent and mononitro-polynuclear aromatic hydrocarbons in the BLU:Ha newborn mouse assay.

Toxicol. Appl. Pharmacol. 99(3) , 555-63, (1989)

A BLU:Ha newborn mouse lung adenoma bioassay was employed to compare the tumorigenicity of selected mononitroarenes and unsubstituted parent compounds 6 months after initial treatment. The presence of...

Metabolism of isomeric nitrobenzo[a]pyrenes leading to DNA adducts and mutagenesis.

Mutat. Res. 376(1-2) , 43-51, (1997)

We have been interested in determining the structural and electronic features that may be useful in predicting the mutagenic activity of nitro-polycyclic aromatic hydrocarbons (nitro-PAHs). We have pr...

Structure and vibrational spectra of mononitrated benzo[a]pyrenes.

J. Phys. Chem. A 110(1) , 76-84, (2006)

The molecules benzo[a]pyrene (BaP) and 1-, 3-, and 6-nitrobenzo[a]pyrene (1-NBaP, 3-NBaP, 6-NBaP) are currently of significant interest due to their presence in respirable combustion exhaust particula...

Synonyms

MFCD00215956

bcr311_fluka

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