CAS 42397-65-9|1,8-DINITROPYRENE

Introduction：Basic information about CAS 42397-65-9|1,8-DINITROPYRENE, 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. Articles29
7. Synonyms

Common Name	1,8-DINITROPYRENE
CAS Number	42397-65-9	Molecular Weight	292.246
Density	1.6±0.1 g/cm3	Boiling Point	515.2±30.0 °C at 760 mmHg
Molecular Formula	C₁₆H₈N₂O₄	Melting Point	/
MSDS	ChineseUSA	Flash Point	261.6±17.4 °C
Symbol	GHS08	Signal Word	Warning

Names

Name	1,8-dinitropyrene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	515.2±30.0 °C at 760 mmHg
Molecular Formula	C₁₆H₈N₂O₄
Molecular Weight	292.246
Flash Point	261.6±17.4 °C
Exact Mass	292.048401
PSA	91.64000
LogP	4.63
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.888
InChIKey	BLYXNIHKOMELAP-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UR2456000

CHEMICAL NAME :: Pyrene, 1,8-dinitro-

CAS REGISTRY NUMBER :: 42397-65-9

BEILSTEIN REFERENCE NO. :: 3413165

LAST UPDATED :: 199710

DATA ITEMS CITED :: 40

MOLECULAR FORMULA :: C16-H8-N2-O4

MOLECULAR WEIGHT :: 292.26

WISWESSER LINE NOTATION :: L666 B6 2AB PJ DNW KNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 35071 ug/kg/4W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 23 mg/kg/4W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16 mg/kg/10W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg/20W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 160 ug/kg/10W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg/20W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Tumorigenic - tumors at site of application

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 35071 ug/kg/4W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :: Unscheduled DNA synthesis

TEST SYSTEM :: Rodent - rabbit Lung

DOSE/DURATION :: 1250 ng/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 175,259,1986 *** REVIEWS *** IARC Cancer Review:Animal Sufficient 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: 46,231,1989 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: 46,231,1989 IARC Cancer Review:Group 2B 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: 46,231,1989

Safety Information

Symbol	GHS08
Signal Word	Warning
Hazard Statements	H351
Precautionary Statements	P280
Personal Protective Equipment	Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	Xn: Harmful;
Risk Phrases	R40
Safety Phrases	S22;S26;S36/S37
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	UR2456000
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%

Articles29

Mutagenic activity and quantification of nitroarenes in surface soil in the Kinki region of Japan.

Mutat. Res. 538(1-2) , 121-31, (2003)

To clarify the mutagenic potential of surface soil in the Kinki region of Japan, particularly in Osaka and neighboring cities, 62 surface soil samples were collected and their organic extracts were ex...

High-performance liquid chromatography-fluorescence determination of dinitropyrenes in soil after column chromatographic clean-up and on-line reduction.

J. Chromatogr. A. 839(1-2) , 41-8, (1999)

In order to quantify 1,3-dinitropyrene (DNP), 1,6-DNP and 1,8-DNP in soil, we developed an efficient clean-up procedure and a sensitive determination method using fluorescence detection. DNP isomers w...

Bioactivation of diesel exhaust particle extracts and their major nitrated polycyclic aromatic hydrocarbon components, 1-nitropyrene and dinitropyrenes, by human cytochromes P450 1A1, 1A2, and 1B1.

Mutat. Res. 472(1-2) , 129-38, (2000)

The genotoxicities of four samples of diesel exhaust particle (DEP) extracts (DEPE) and nine nitroarenes found in DEPE were investigated after activation catalyzed by human cytochrome P450 (P450) fami...

Synonyms

Pyrene, 1,8-dinitro-

Pyrene,1,8-dinitro

BIDD:ER0475

1,8-Dinitro-pyrene

MFCD00010495

1,8-DINITROPYRENE

1,8-Dinitro-pyren

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