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Basic Information
CAS No.: 1706-01-0
Name: 3-METHYLFLUORANTHENE
Molecular Structure:
Molecular Structure of 1706-01-0 (3-METHYLFLUORANTHENE)
Formula: C17H12
Molecular Weight: 216.282
Synonyms: 3-Methylfluoranthene
Density: 1.213g/cm3
Melting Point: 65-66 °C
Boiling Point: 387.4°Cat760mmHg
Flash Point: 178.9°C
Safety: Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 4.79560
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Chemistry

Molecule structure of 3-Methylfluoranthene (CAS NO.1706-01-0) :

IUPAC Name: 3-methylfluoranthene 
Molecular Weight: 216.27718 g/mol
Molecular Formula: C17H12 
Density: 1.213 g/cm3 
Boiling Point: 387.4 °C at 760 mmHg 
Flash Point: 178.9 °C
Index of Refraction: 1.815
Molar Refractivity: 77.28 cm3
Molar Volume: 178.2 cm3
Polarizability: 30.63*10-24 cm3
Surface Tension: 55.8 dyne/cm 
Enthalpy of Vaporization: 61.16 kJ/mol
Vapour Pressure: 7.38E-06 mmHg at 25 °C
XLogP3: 5.5
Exact Mass: 216.0939
MonoIsotopic Mass: 216.0939
Heavy Atom Count: 17
Complexity: 294
Canonical SMILES: CC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43
InChI: InChI=1S/C17H12/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16/h2-10H,1H3
InChIKey of 3-Methylfluoranthene (CAS NO.1706-01-0) : XHJKUHDKEFRGSK-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mma-sat 10 µg/plate

     CRNGDP    Carcinogenesis. 3 (1982),841.

Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(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 Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 ,1983,p. 399.(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) .

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 3-Methylfluoranthene (CAS NO.1706-01-0) is also called 4-05-00-02474 (Beilstein Handbook Reference) ; BRN 1868439 ; CCRIS 6933 ; Fluoranthene, 3-methyl- .