CAS No.2491-36-3,2-BROMO-2'-HYDROXYACETOPHENONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2491-36-3
Name:	2-BROMO-2'-HYDROXYACETOPHENONE
Article Data:	53

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:	C
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

Conditions	Yield
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

Conditions	Yield
With hydrogenchloride In water for 4h; Reflux;	70%

: 582-24-1
1-phenyl-2-hydroxyethanone

: 2491-36-3
2-(2-bromoacetyl)hydroxybenzene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With aluminium trichloride; 1,2-Dichloropropane
With aluminium trichloride; 1,2-Dichloropropane

...Expand

: 118-93-4
o-hydroxyacetophenone

A: 1450-75-5
5-Bromo-2-hydroxyacetophenone

B: 2491-36-3
2-(2-bromoacetyl)hydroxybenzene

Conditions

Conditions	Yield
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

Conditions	Yield
With aluminium trichloride at 140℃;

: 108-95-2
phenol

: 2491-36-3
2-(2-bromoacetyl)hydroxybenzene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In benzene	96%

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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.