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2491-36-3

Basic Information
CAS No.: 2491-36-3
Name: 2-BROMO-2'-HYDROXYACETOPHENONE
Article Data: 53
Molecular Structure:
Molecular Structure of 2491-36-3 (2-BROMO-2'-HYDROXYACETOPHENONE)
Formula: C8H7BrO2
Molecular Weight: 215.046
Synonyms: Acetophenone,2-bromo-2'-hydroxy- (6CI,7CI,8CI);2-Hydroxyphenacyl bromide;2'-Hydroxy-2-bromoacetophenone;a-Bromo-2-hydroxyacetophenone;w-Bromo-o-hydroxyacetophenone;
Density: 1.622 g/cm3
Melting Point: 44-48 °C(lit.)
Boiling Point: 272.1 °C at 760 mmHg
Flash Point: 118.347 °C
Appearance: off-white powder
Hazard Symbols: CorrosiveC
Risk Codes: 22-34
Safety: 26-36/37/39-45
Transport Information: UN 3263 8
PSA: 37.30000
LogP: 1.96980
Synthetic route
118-93-4

o-hydroxyacetophenone

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

Conditions
ConditionsYield
With copper(ll) bromide In chloroform Reflux;100%
With copper(ll) bromide In chloroform; ethyl acetate Heating;96%
With copper(ll) bromide In chloroform; ethyl acetate for 5h; Reflux;94%
40231-08-1

o-(Bromoacetyl)phenyl acetate

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

Conditions
ConditionsYield
With hydrogenchloride In water for 4h; Reflux;70%
582-24-1

1-phenyl-2-hydroxyethanone

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

Conditions
ConditionsYield
With bromine; acetic acid for 2h; Reflux;60%
118-93-4

o-hydroxyacetophenone

A

67029-74-7

2-bromo-1-(5-bromo-2-hydroxyphenyl)ethan-1-one

B

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

Conditions
ConditionsYield
With bromine; acetic acid
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
118-93-4

o-hydroxyacetophenone

A

1450-75-5

5-Bromo-2-hydroxyacetophenone

B

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

Conditions
ConditionsYield
With bromine; acetic acid
620-72-4

phenyl 2-bromoacetate

A

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

B

2-bromo-1-<4-hydroxy-phenyl>-ethanone-(1)

2-bromo-1-<4-hydroxy-phenyl>-ethanone-(1)

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

phenol

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 150 - 155 °C
2: AlCl3 / 140 °C
View Scheme
2491-36-3

2-(2-bromoacetyl)hydroxybenzene

5188-07-8

sodium thiomethoxide

56986-82-4

α,α-dibromo-o-hydroxyacetophenone

Conditions
ConditionsYield
In methanol for 0.5h; Ambient temperature;98%
603-35-0

triphenylphosphine

2491-36-3

2-(2-bromoacetyl)hydroxybenzene

[2-(2-Hydroxy-phenyl)-2-oxo-ethyl]-triphenyl-phosphonium; bromide

Conditions
ConditionsYield
In benzene96%
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  • 2-bromo-1-(2-hydroxyphenyl)-ethanon

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  • Ethanone,2-bromo-1-(2-hydroxyphenyl)-

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    2491-36-3

    Ethanone,2-bromo-1-(2-hydroxyphenyl)-

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Specification

The Ethanone,2-bromo-1-(2-hydroxyphenyl)-, with the CAS registry number 2491-36-3, is also known as 2-Hydroxyphenacyl bromide. It belongs to the product categories of API intermediates; Aromatics; C7 to C8; Carbonyl Compounds; Ketones. This chemical's molecular formula is C8H7BrO2 and molecular weight is 215.04398. Its IUPAC name is called 2-bromo-1-(2-hydroxyphenyl)ethanone. This chemical's classification code is Skin / Eye Irritant. It is off-white powder.

Physical properties of Ethanone,2-bromo-1-(2-hydroxyphenyl)-: (1)ACD/LogP: 2.49; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.608; (6)Molar Refractivity: 45.89 cm3; (7)Molar Volume: 132.5 cm3; (8)Surface Tension: 54.1 dyne/cm; (9)Density: 1.622 g/cm3; (10)Flash Point: 118.3 °C; (11)Enthalpy of Vaporization: 53.09 kJ/mol; (12)Boiling Point: 272.1 °C at 760 mmHg; (13)Vapour Pressure: 0.00373 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It is harmful if swallowed. This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)CBr)O
(2)InChI: InChI=1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2
(3)InChIKey: SGPKEYSZPHMVNI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 821mg/kg (821mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 183, 1992.