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CAS No.: | 2491-36-3 |
---|---|
Name: | 2-BROMO-2'-HYDROXYACETOPHENONE |
Article Data: | 53 |
Molecular Structure: | |
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 |
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% |
o-(Bromoacetyl)phenyl acetate
2-(2-bromoacetyl)hydroxybenzene
Conditions | Yield |
---|---|
With hydrogenchloride In water for 4h; Reflux; | 70% |
Conditions | Yield |
---|---|
With bromine; acetic acid for 2h; Reflux; | 60% |
o-hydroxyacetophenone
A
2-bromo-1-(5-bromo-2-hydroxyphenyl)ethan-1-one
B
2-(2-bromoacetyl)hydroxybenzene
Conditions | Yield |
---|---|
With bromine; acetic acid |
methoxybenzene
2-Bromoacetyl bromide
A
2-bromo-1-(4'-hydroxyphenyl)-1-ethanone
B
2-(2-bromoacetyl)hydroxybenzene
Conditions | Yield |
---|---|
With aluminium trichloride; 1,2-Dichloropropane | |
With aluminium trichloride; 1,2-Dichloropropane |
o-hydroxyacetophenone
A
5-Bromo-2-hydroxyacetophenone
B
2-(2-bromoacetyl)hydroxybenzene
Conditions | Yield |
---|---|
With bromine; acetic acid |
Conditions | Yield |
---|---|
With aluminium trichloride at 140℃; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 150 - 155 °C 2: AlCl3 / 140 °C View Scheme |
2-(2-bromoacetyl)hydroxybenzene
sodium thiomethoxide
α,α-dibromo-o-hydroxyacetophenone
Conditions | Yield |
---|---|
In methanol for 0.5h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
In benzene | 96% |
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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. |