4-Nitropyrene supplier | CasNO.57835-92-4

Name
4-NITROPYRENE
EINECS
CAS No. 57835-92-4
Article Data2
CAS DataBase
Density 1.422g/cm³
Solubility
Melting Point 187.0 to 192.0 °C
Formula C16H9 N O2
Boiling Point 445.5°Cat760mmHg
Molecular Weight 247.253
Flash Point 223.5°C
Transport Information
Appearance
Safety Confirmed carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Nitropyrene
PSA 45.82000
LogP 5.01540

4-Nitropyrene Chemical Properties

Molecular Formula: C₁₆H₉NO₂
Molar mass: 247.25 g/mol
Nominal Mass: 247 Da
Average Mass: 247.2482 Da
Monoisotopic Mass: 247.063329 Da
Density: 1.422 g/cm³
Flash Point: 223.5 °C
Index of Refraction: 1.87
Boiling Point: 445.5 °C at 760 mmHg
Vapour Pressure: 1.04E-07 mmHg at 25°C
Structure of 4-Nitropyrene (57835-92-4):

XLogP3-AA: 4.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: 4-Nitropyrene
SMILES: [O-][N+](=O)c4cc2cccc1ccc3c(c12)c4ccc3
InChI: InChI=1/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
InChIKey: UISKIUIWPSPSAV-UHFFFAOYAE
Std. InChI: InChI=1S/C16H9NO2/c18-17(19)14-9-12-5-1-3-10-7-8-11-4-2-6-13(14)16(11)15(10)12/h1-9H
Std. InChIKey: UISKIUIWPSPSAV-UHFFFAOYSA-N

4-Nitropyrene Toxicity Data With Reference

1.		mmo-sat 1 nmol/plate		MUREAV Mutation Research. 143 (1985),173.
2.		dnr-bcs 100 ng/disc		MUREAV Mutation Research. 174 (1986),89.

4-Nitropyrene Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 46 ,1989,p. 367.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 46 ,1989,p. 367.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 46 ,1989,p. 367.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

4-Nitropyrene Safety Profile

Confirmed carcinogen with experimental carcinogenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

4-Nitropyrene Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans

4-Nitropyrene Specification

4-Nitropyrene (57835-92-4) also can be called 1-Nitropyrene and Pyrene, 4-nitro- .

Product Name

4-NITROPYRENE