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117538-45-1

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Basic Information
CAS No.: 117538-45-1
Name: 2-BROMO-1-(3-CHLOROPHENYL)ETHANOL
Article Data: 6
Molecular Structure:
Molecular Structure of 117538-45-1 (2-BROMO-1-(3-CHLOROPHENYL)ETHANOL)
Formula: C8H8BrClO
Molecular Weight: 235.508
Synonyms: 2-Bromo-1-(3-chlorophenyl)ethanol;
Density: 1.617 g/cm3
Melting Point: 205-207 °C
Boiling Point: 290.902 °C at 760 mmHg
Flash Point: 129.733 °C
PSA: 20.23000
LogP: 2.76830
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Specification

The Benzenemethanol, α-(bromomethyl)-3-chloro-, with the CAS registry number of 117538-45-1, is also known as 2-Bromo-1-(3-chlorophenyl)ethan-1-ol. It belongs to the product category of Chiral. This chemical's molecular formula is C8H8BrClO and molecular weight is 235.51. What's more, its systematic name is called 2-Bromo-1-(3-chlorophenyl)ethanol.

Physical properties about Benzenemethanol, α-(bromomethyl)-3-chloro- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 20.23 Å2; (7)Index of Refraction: 1.602; (8)Molar Refractivity: 49.967 cm3; (9)Molar Volume: 145.637 cm3; (10)Surface Tension: 49.999 dyne/cm; (11)Density: 1.617 g/cm3; (12)Flash Point: 129.733 °C; (13)Enthalpy of Vaporization: 56.006 kJ/mol; (14)Boiling Point: 290.902 °C at 760 mmHg; (15)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1)C(O)CBr
(2) InChI: InChI=1/C8H8BrClO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,8,11H,5H2
(3) InChIKey: SSQKRNANOICYRX-UHFFFAOYAW