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5522-43-0

Basic Information
CAS No.: 5522-43-0
Name: 1-Nitropyrene
Article Data: 39
Molecular Structure:
Molecular Structure of 5522-43-0 (1-Nitropyrene)
Formula: C16H9 N O2
Molecular Weight: 247.253
Synonyms: 1-Nitropyrene;3-Nitropyrene;NSC 81340;
EINECS: 226-868-2
Density: 1.422 g/cm3
Melting Point: 153-155 °C(lit.)
Boiling Point: 445.5ºCat 760 mmHg
Flash Point: 223.5ºC
Appearance: Yellow acicular crystallization
Hazard Symbols:
Risk Codes: R20/21/22;R40   
Safety: 22-36/37/39-45-36/37
PSA: 45.82000
LogP: 5.01540
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Chemistry

Molecular Formula: C16H9NO2
Molecular Weight: 247.25
Melting point: 152-156 ºC
EINECS: 226-868-2
Density: 1.422 g/cm3
Storage temp: 2-8°C 
Flash Point: 223.5 °C 
Index of Refraction: 1.87 
IUPAC Name: 1-Nitropyrene
CAS Registry Number: 5522-43-0
Appearance: Yellow needle-like crystals
Enthalpy of Vaporization: 67.64 kJ/mol 
Boiling Point: 445.5 °C at 760 mmHg 
Vapour Pressure: 1.04E-07 mmHg at 25°C
Air & Water Reactions: Insoluble in water. 
Synonyms: Labotest-BB LT00894548 ; 1-Nitropyrene ; 3-Nitropyrene ; Pyrene, 1-nitro- ; 23264, 1-Nitropyrene (purity) ; Nitropyrene ; 1-Nitropyrene (100UG/ML in Toluene) ; 1-Nitropyrene 98
Following is the molecular structure of 3-Nitropyrene (CAS NO.5522-43-0):

Production

Reactivity Profile: 1-Nitropyrene (CAS NO.5522-43-0) may be sensitive to prolonged exposure to light. Reacts with ethanolic potassium hydroxide. Also reacts with zinc powder and ethanol with catalytic amounts of ammonium chloride or ammonia .
 

Toxicity Data With Reference

1.    

mmo-esc 3 µg/plate

    MUREAV    Mutation Research. 142 (1985),163.
2.    

otr-hmn:fbr 3 µmol/L

    CRNGDP    Carcinogenesis. 4 (1983),353.

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. 321.(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. 321.(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. 321.(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) . Reported in EPA TSCA Inventory.

Safety Profile

Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of 3-Nitropyrene (CAS NO.5522-43-0):
Hazard Codes: XnHarmful IrritantXi
Risk Statements: 40-20/21/22 
R40: Limited evidence of a carcinogenic effect. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 22-36/37/39-45-36/37
S22: Do not breathe dust. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: UR2480000
TSCA: T

Standards and Recommendations

DFG MAK: Confirmed Animal Carcinogen with Unknown Relevance to Humans