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2541-68-6

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Basic Information
CAS No.: 2541-68-6
Name: 6-Fluoro-7-methylbenz[a]anthracene
Molecular Structure:
Molecular Structure of 2541-68-6 (6-Fluoro-7-methylbenz[a]anthracene)
Formula: C19H13 F
Molecular Weight: 260.311
Synonyms: 6-Fluoro-7-methylbenz[a]anthracene
Density: 1.226g/cm3
Boiling Point: 452.4°C at 760 mmHg
Flash Point: 199.4°C
Safety: Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of F−.
PSA: 0.00000
LogP: 5.59370
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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Chemistry

IUPAC Name: 6-fluoro-7-methylbenzo[b]phenanthrene 
Empirical Formula: C19H13F
Molecular Weight: 260.3049g/mol
Structure of 6-Fluoro-7-methylbenz(a)anthracene (CAS NO.2541-68-6):

Index of Refraction: 1.728
Molar Refractivity: 84.59 cm3
Molar Volume: 212.2 cm3
Polarizability: 33.53×10-24cm3
Surface Tension: 49.6 dyne/cm
Density: 1.226 g/cm3
Flash Point: 199.4 °C
Enthalpy of Vaporization: 68.43 kJ/mol
Boiling Point: 452.4 °C at 760 mmHg
Vapour Pressure: 6.04E-08 mmHg at 25°C 
Classification Code: Tumor data 
Canonical SMILES: CC1=C2C(=CC3=CC=CC=C13)C4=CC=CC=C4C=C2F
InChI: InChI=1S/C19H13F/c1-12-15-8-4-2-6-13(15)10-17-16-9-5-3-7-14(16)11-18(20)19(12)17/h2-11H,1H3
InChIKey: YTMJGWZZUJCJPE-UHFFFAOYSA-N

Toxicity Data With Reference

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.270 (none)   EST
Water Solubility 0.0128 mg/L 25 EXP
Atmospheric OH Rate Constant 5.83E-11 cm3/molecule-sec 25 EST

Safety Profile

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of F−.

Specification

  6-Fluoro-7-methylbenz(a)anthracene , its cas register number is 2541-68-6. It also can be called BRN 2532106 ; Benz(a)anthracene, 6-fluoro-7-methyl- . When 6-Fluoro-7-methylbenz(a)anthracene (CAS NO.2541-68-6) is heated to decomposition, it emits toxic fumes of F−.