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61735-77-1

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Basic Information
CAS No.: 61735-77-1
Name: 3-fluorobenzo(a,i)pyrene
Molecular Structure:
Molecular Structure of 61735-77-1 (3-fluorobenzo(a,i)pyrene)
Formula: C24H13F
Molecular Weight: 320.37
Synonyms: 3-Fluorbenzo(rst)pentaphen;3-Fluorobenzo(rst)pentaphene;3-Fluorodibenzo3-Fluorodibenzo[a,i]pyrene;BENZO(rst)PENTAPHENE,3-FLUORO;
Density: 1.366g/cm3
Boiling Point: 554.8°Cat760mmHg
Flash Point: 251.9°C
Safety: Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of F−.
PSA: 0.00000
LogP: 7.02950
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    3-FLUOROBENZO(A,I)PYRENEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Molecule structure of 3-Fluorobenzo(rst)pentaphene (CAS NO.61735-77-1) :

Molecular Weight: 320.358423 g/mol
Molecular Formula: C24H13F 
Density: 1.366 g/cm3 
Boiling Point: 554.8 °C at 760 mmHg 
Flash Point: 251.9 °C
Index of Refraction: 1.889
Molar Refractivity: 108.14 cm3
Molar Volume: 234.4 cm3
Polarizability: 42.87*10-24 cm3
Surface Tension: 64.5 dyne/cm 
Enthalpy of Vaporization: 80.47 kJ/mol
Vapour Pressure: 8.82E-12 mmHg at 25 °C
XLogP3-AA: 7.4
H-Bond Acceptor: 1
Exact Mass: 320.100129
MonoIsotopic Mass: 320.100129
Heavy Atom Count: 25
Complexity: 514 
Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=CC6=C(C=CC(=C6)F)C(=C54)C=C3
InChI: InChI=1S/C24H13F/c25-18-7-8-20-17(13-18)12-16-6-5-15-11-14-3-1-2-4-19(14)21-9-10-22(20)24(16)23(15)21/h1-13H
InChIKey of 3-Fluorobenzo(rst)pentaphene (CAS NO.61735-77-1) : RFZRVBKLYCYBKA-UHFFFAOYSA-N

Safety Profile

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

Specification

 3-Fluorobenzo(rst)pentaphene (CAS NO.61735-77-1) is also called 3-Fluorobenzo(a,i)pyrene ; BRN 1995992 ; Benzo(rst)pentaphene, 3-fluoro- .