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  • α-Bromo-4-chloroacetophenone
Name:α-Bromo-4-chloroacetophenone
CAS No:536-38-9

PRODUCT DESCRIPTION

【Name】
α-Bromo-4-chloroacetophenone
【Iupac name】
2-bromo-1-(4-chlorophenyl)ethanone
【CAS Registry number】
536-38-9
【Synonyms】
4-Chlorophenacyl bromide
2-Bromo-4-chloroacetophenone
omega-bromo-4-chloroacetophenone
bromomethyl p-chlorophenyl ketone
4-Chloro Phencyl Bromide
2,4-Dichloropentaphenone
A-BROMO-P-CHLOROACETOPHENONE
ALPHA-BROMO-P-CHLOROACETOPHENONE
AKOS 90589
AKOS BBS-00000813
4-CHLORO-2'-BROMINE ACETOPHENONE
4-Chloro-2'-bromoacetophenone
2-BROMO-1-(4-CHLOROPHENYL)ETHAN-1-ONE
2-bromo-4'-chloroacetophenone
2-bromo-1-(4-chlorophenyl)ethanone
【EINECS(EC#)】
208-631-5
【Molecular Formula】
C8H6BrClO (Products with the same molecular formula)
【Molecular Weight】
233.49
【Inchi】
InChI=1/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
【Canonical SMILES】
C1=CC(=CC=C1C(=O)CBr)Cl
【MOL File】
536-38-9.mol

Chemical and Physical Properties

【Appearance】
White to beige solid.
【Density】
1.598g/cm3
【Melting Point】
95-99℃
【Boiling Point】
289.7°Cat760mmHg
【Flash Point】
129°C
【Solubilities】
Insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Keep Cold
【Computed Properties】
Molecular Weight:233.48964 [g/mol]
Molecular Formula:C8H6BrClO
XLogP3:3.1
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:231.929055
MonoIsotopic Mass:231.929055
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Formal Charge:0
Complexity:141
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:13

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R22;R34
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【Hazard Note】

Corrosive/Lachrymatory/Keep Cold

【PackingGroup 】
III
【Sensitive】
Lachrymatory
【Transport】
UN 3261 8/PG 2

Use and Manufacturing

【Usage】

Substance is used in the prepn of quaternary salts of methenamine and of chlorophenol glyoximes.

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