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38303-36-5

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Basic Information
CAS No.: 38303-36-5
Name: 1,3,6-tribromopyrene
Article Data: 17
Molecular Structure:
Molecular Structure of 38303-36-5 (1,3,6-tribromopyrene)
Formula: C16H7Br3
Molecular Weight: 438.944
Synonyms: 1,3,6-Tribromopyrene;
EINECS: 253-870-0
Density: 2.084 g/cm3
Boiling Point: 509.9 °C at 760 mmHg
Flash Point: 252.1 °C
PSA: 0.00000
LogP: 6.87150
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Specification

The Pyrene, 1, 3, 6-tribromo- has CAS registry number 38303-36-5. Its EINECS registry number is 253-870-0. This chemical's molecular formula is C16H7Br3 and molecular weight is 438.93878. What's more, its IUPAC name is 1, 3, 6-Tribromopyrene.

Physical properties about Pyrene, 1, 3, 6-tribromo- are: (1)ACD/LogP: 7.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.43; (4)ACD/LogD (pH 7.4): 7.43; (5)ACD/BCF (pH 5.5): 261414.56; (6)ACD/BCF (pH 7.4): 261414.56; (7)ACD/KOC (pH 5.5): 262602.66; (8)ACD/KOC (pH 7.4): 262602.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.868; (14)Molar Refractivity: 95.53 cm3; (15)Molar Volume: 210.5 cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Density: 2.084 g/cm3; (18)Flash Point: 252.1 °C; (19)Enthalpy of Vaporization: 75.1 kJ/mol; (20)Boiling Point: 509.9 °C at 760 mmHg; (21)Vapour Pressure: 5.21E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc4c3c1ccc2c(Br)cc(Br)c(c23)cc4
(2) InChI: InChI=1/C16H7Br3/c17-12-6-2-8-1-3-10-13(18)7-14(19)11-5-4-9(12)15(8)16(10)11/h1-7H
(3) InChIKey: XVBALZHPIPCRKD-UHFFFAOYAD