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62590-16-3

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Basic Information
CAS No.: 62590-16-3
Name: 1,2-bis(bromomethyl)-3-fluorobenzene
Article Data: 9
Molecular Structure:
Molecular Structure of 62590-16-3 (1,2-bis(bromomethyl)-3-fluorobenzene)
Formula: C8H7Br2F
Molecular Weight: 281.95
Synonyms: TL80090231;1,2-bis(bromomethyl)-3-fluorobenzene;
Density: 1.847 g/cm3
Boiling Point: 267 °C at 760 mmHg
Flash Point: 115.2 °C
PSA: 0.00000
LogP: 3.61550
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Specification

The 2,3-Bis-(bromomethyl)fluorobenzene, with the CAS registry number 62590-16-3, is also known as TL80090231. This chemical's molecular formula is C8H7Br2F and molecular weight is 281.9476. Its IUPAC name is called 1,2-bis(bromomethyl)-3-fluorobenzene.

Physical properties of 2,3-bis-(bromomethyl)fluorobenzene: (1)ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 3.75; (3)ACD/LogD (pH 7.4): 3.75; (4)ACD/BCF (pH 5.5): 418.58; (5)ACD/BCF (pH 7.4): 418.58; (6)ACD/KOC (pH 5.5): 2619.84; (7)ACD/KOC (pH 7.4): 2619.84; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.59; (10)Molar Refractivity: 51.54 cm3; (11)Molar Volume: 152.6 cm3; (12)Surface Tension: 43.6 dyne/cm; (13)Density: 1.847 g/cm3; (14)Flash Point: 115.2 °C; (15)Enthalpy of Vaporization: 48.46 kJ/mol; (16)Boiling Point: 267 °C at 760 mmHg; (17)Vapour Pressure: 0.0138 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)F)CBr)CBr
(2)InChI: InChI=1S/C8H7Br2F/c9-4-6-2-1-3-8(11)7(6)5-10/h1-3H,4-5H2
(3)InChIKey: RFGAFUSDCBRIFT-UHFFFAOYSA-N