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2491-38-5

Basic Information
CAS No.: 2491-38-5
Name: 2-Bromo-4'-hydroxyacetophenone
Article Data: 93
Molecular Structure:
Molecular Structure of 2491-38-5 (2-Bromo-4'-hydroxyacetophenone)
Formula: C8H7BrO2
Molecular Weight: 215.046
Synonyms: 4'-Hydroxy-2-bromoacetophenone;Busan 1130;4-Hydroxyphenacyl bromide;Busan 90;Butrol 1130;p-Hydroxyphenacyl bromide;a-Bromo-4'-hydroxyacetophenone;2-Bromo-1-(4-hydroxyphenyl)ethan-1-one;1-(4-Hydroxyphenyl)-2-bromoethanone;w-Bromo-p-hydroxyacetophenone;2-Bromo-4'-hydroxyacetophenone;
EINECS: 219-655-0
Density: 1.622 g/cm3
Melting Point: 123-126°C
Boiling Point: 338.7 °C at 760 mmHg
Flash Point: 158.6 °C
Appearance: clear colorless to light yellow liquid
Hazard Symbols: CorrosiveC
Risk Codes: 22-36
Safety: 26
PSA: 37.30000
LogP: 1.96980
Synthetic route
99-93-4

4-Hydroxyacetophenone

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

Conditions
ConditionsYield
With copper(ll) bromide In ethanol; chloroform for 3.5h; Reflux;99.3%
With copper(ll) bromide In ethyl acetate at 20℃; for 2h;96%
With bromine; zinc In water at 20℃; for 0.25h;94%
13031-43-1

4-acetyloxyacetophenone

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

Conditions
ConditionsYield
With bis(dimethylacetamide)hydrogen tribromide In methanol at 20 - 45℃; for 0.25h;96%
Multi-step reaction with 2 steps
1: CS2; bromine
2: aq.-ethanolic HBr
View Scheme
Multi-step reaction with 2 steps
1: bromine / chloroform / 3 h
2: hydrogenchloride / water / 4 h / Reflux
View Scheme
99-93-4

4-Hydroxyacetophenone

A

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

B

1836-06-2

3-bromo-4-hydroxyacetophenone

Conditions
ConditionsYield
With phenyltrimethylammonium tribromide In methanol; chloroform for 0.5h; Product distribution; other reagent, var. solvents;A 15%
B 76%
41104-10-3

acetic acid 4-(2-bromoacetyl)phenyl ester

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

Conditions
ConditionsYield
With hydrogenchloride In water for 4h; Reflux;70%
With hydrogen bromide
100-66-3

methoxybenzene

598-21-0

2-Bromoacetyl bromide

A

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

B

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

Conditions
ConditionsYield
With aluminium trichloride; 1,2-Dichloropropane
With aluminium trichloride; 1,2-Dichloropropane
99-93-4

4-Hydroxyacetophenone

A

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

B

2,2-dibromo-4'-hydroxyacetophenone

Conditions
ConditionsYield
With bromine In 1,4-dioxane for 0.666667h; Ambient temperature;A 10.3 g
B 0.96 g
With bromine In 1,4-dioxane for 0.5h; Ambient temperature;A 10.3 g
B 0.96 g
620-72-4

phenyl 2-bromoacetate

A

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

B

2-bromo-1-<2-hydroxy-phenyl>-ethanone-(1)

2-bromo-1-<2-hydroxy-phenyl>-ethanone-(1)

Conditions
ConditionsYield
With aluminium trichloride at 140℃;
108-95-2

phenol

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 150 - 155 °C
2: AlCl3 / 140 °C
View Scheme

C10H8Br2O3

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

Conditions
ConditionsYield
Stage #1: C10H8Br2O3 With sodium In methanol for 3h;
Stage #2: With water In methanol
7789-45-9

copper(II)bromide

99-93-4

4-Hydroxyacetophenone

2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

Conditions
ConditionsYield
In chloroform; ethyl acetate
In chloroform; ethyl acetate
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Specification

1. Introduction of 2-Bromo-4'-hydroxyacetophenone

The 2-Bromo-4'-hydroxyacetophenone, with its CAS NO 2491-38-5, is a kind of off-white solid. It has synonyms of 4'-Hydroxy-2-bromoacetophenone;Busan 1130;4-Hydroxyphenacyl bromide;Busan 90;Butrol 1130;p-Hydroxyphenacyl bromide;a-Bromo-4'-hydroxyacetophenone;2-Bromo-1-(4-hydroxyphenyl)ethan-1-one;1-(4-Hydroxyphenyl)-2-bromoethanone and w-Bromo-p-hydroxyacetophenone. 2-Bromo-4'-hydroxyacetophenone should be stored in shady and cool warehouse and mainly used as organic synthesis.

2.Properties of 2-Bromo-4'-hydroxyacetophenone

(1) Molecular Weight 215.04398 [g/mol] (2) Molecular Formula C8H7BrO2 (3) XLogP3 2.4
(4) H-Bond Donor 1 (5) H-Bond Acceptor 2  (6) Rotatable Bond Count 2
(7) Tautomer Count 7  (8) Exact Mass 213.962942 (9) MonoIsotopic Mass 213.962942
(10) Topological Polar Surface Area 37.3 (11) Heavy Atom Count 11 (12) Complexity 139 
(13)Covalently-Bonded Unit Count 1  (14) Feature 3D Acceptor Count 1 (15) Feature 3D Donor Count 1
(16) Feature 3D Hydrophobe Count 1  (17) Feature 3D Ring Count 1 (18) Effective Rotor Count 2
(19) Conformer Sampling RMSD 0.4 (20) CID Conformer Count 13

3.Structure descriptors of 2-Bromo-4'-hydroxyacetophenone

IUPAC Name: 2-bromo-1-(4-hydroxyphenyl)ethanone

InChI: InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2

InChIKey: LJYOFQHKEWTQRH-UHFFFAOYSA-N

Canonical SMILES : C1=CC(=CC=C1C(=O)CBr)O