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Cas Database |
| Name |
2-Bromo-4'-hydroxyacetophenone |
EINECS | 219-655-0 |
| CAS No. | 2491-38-5 | Density | 1.622 g/cm3 |
| PSA | 37.30000 | LogP | 1.96980 |
| Solubility | N/A | Melting Point |
123-126°C |
| Formula | C8H7BrO2 | Boiling Point | 338.7 °C at 760 mmHg |
| Molecular Weight | 215.046 | Flash Point | 158.6 °C |
| Transport Information | N/A | Appearance | clear colorless to light yellow liquid |
| Safety | 26 | Risk Codes | 22-36 |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| 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; |
Article Data | 93 |
2-Bromo-4'-hydroxyacetophenone Synthetic route
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With aluminium trichloride; 1,2-Dichloropropane | |
| With aluminium trichloride; 1,2-Dichloropropane |
| Conditions | Yield |
|---|---|
| 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 |
| 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 |
- 2491-38-5
2-bromo-1-(4'-hydroxyphenyl)-1-ethanone
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In chloroform; ethyl acetate | |
| In chloroform; ethyl acetate |
2-Bromo-4'-hydroxyacetophenone 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
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