CAS 5522-43-0|1-Nitropyrene

Introduction：Basic information about CAS 5522-43-0|1-Nitropyrene, 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. Articles34
7. Synonyms

Common Name	1-Nitropyrene
CAS Number	5522-43-0	Molecular Weight	247.248
Density	1.4±0.1 g/cm3	Boiling Point	445.5±14.0 °C at 760 mmHg
Molecular Formula	C₁₆H₉NO₂	Melting Point	153-155 °C(lit.)
MSDS	ChineseUSA	Flash Point	223.5±12.9 °C
Symbol	GHS08	Signal Word	Warning

Names

Name	1-Nitropyrene
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	445.5±14.0 °C at 760 mmHg
Melting Point	153-155 °C(lit.)
Molecular Formula	C₁₆H₉NO₂
Molecular Weight	247.248
Flash Point	223.5±12.9 °C
Exact Mass	247.063324
PSA	45.82000
LogP	4.90
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.871
InChIKey	ALRLPDGCPYIVHP-UHFFFAOYSA-N
SMILES	O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34
Storage condition	2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UR2480000

CHEMICAL NAME :: Pyrene, 1-nitro-

CAS REGISTRY NUMBER :: 5522-43-0

BEILSTEIN REFERENCE NO. :: 1882811

LAST UPDATED :: 199712

DATA ITEMS CITED :: 65

MOLECULAR FORMULA :: C16-H9-N-O2

MOLECULAR WEIGHT :: 247.26

WISWESSER LINE NOTATION :: L666 B6 2AB PJ DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 ug/m3/6H/13W-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes Liver - changes in liver weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 396 mg/kg/16W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors Lungs, Thorax, or Respiration - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20 mg/kg/4W-I

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 160 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 :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1575 mg/kg/6W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 198 mg/kg/8W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors 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 :: 99 mg/kg/8W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1780 mg/kg

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

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

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - thyroid tumors Reproductive - Tumorigenic effects - testicular tumors

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 95566 ug/kg/4W-I

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

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 91857 ug/kg/4W-I

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

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 29671 ug/kg/4W-I

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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 495 mg/kg/8W-I

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

TYPE OF TEST :: Morphological transformation

TYPE OF TEST :: DNA adduct

TYPE OF TEST :: Sister chromatid exchange

TYPE OF TEST :: DNA damage

MUTATION DATA

TYPE OF TEST :: Unscheduled DNA synthesis

TEST SYSTEM :: Rodent - rabbit Lung

DOSE/DURATION :: 2500 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: 46,321,1989 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: 46,321,1989 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: 46,321,1989

Safety Information

Symbol	GHS08
Signal Word	Warning
Hazard Statements	H351
Precautionary Statements	P281
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	R20/21/22;R40
Safety Phrases	S22-S36/37/39-S45-S36/37
RIDADR	NONH for all modes of transport
WGK Germany	3
RTECS	UR2480000
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%

Articles34

Determination of descriptors for polycyclic aromatic hydrocarbons and related compounds by chromatographic methods and liquid-liquid partition in totally organic biphasic systems.

J. Chromatogr. A. 1361 , 240-54, (2014)

Retention factors on several columns and at various temperatures using gas chromatography and from reversed-phase liquid chromatography on a SunFire C18 column with various mobile phase compositions c...

Combination of precolumn nitro-reduction and ultraperformance liquid chromatography with fluorescence detection for the sensitive quantification of 1-nitronaphthalene, 2-nitrofluorene, and 1-nitropyrene in meat products.

J. Agric. Food Chem. 63(12) , 3161-7, (2015)

Carcinogenic nitropolycyclic aromatic hydrocarbons (nitro-PAHs) are ubiquitous in the ambient environment. They are emitted predominantly from internal combustion engines and by reacting polycyclic ar...

Differential chemokine induction by 1-nitropyrene and 1-aminopyrene in bronchial epithelial cells: importance of the TACE/TGF-α/EGFR-pathway.

Environ. Toxicol. Pharmacol. 35(2) , 235-9, (2013)

1-nitropyrene (1-NP), a common PAH in diesel exhaust, and its amine metabolite 1-aminopyrene (1-AP) induce distinctly different chemokine-responses in bronchial epithelial cells (BEAS-2B) characterize...

Synonyms

1-nitro-pyrene

Pyrene,1-nitro

Nitropyrene,Mono-,Di-,Tri-Tetra,isomers

3-Nitropyrene

1-Nitropyrene

NITROPYRENE

1-nitropyrne

EINECS 226-868-2

MFCD00004138

Pyrene, 1-nitro-

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