| Identification | More | [Name]
2-BROMO-2'-HYDROXYACETOPHENONE | [CAS]
2491-36-3 | [Synonyms]
2-BROMO-1-(2-HYDROXYPHENYL)ETHANONE
2-BROMO-2'-HYDROXYACETOPHENONE
2-HYDROXYPHENACYL BROMIDE
2-bromo-1-(2-hydroxyphenyl)-ethanon
2-Bromo-2'-hydroxylacetophenone | [Molecular Formula]
C8H7BrO2 | [MDL Number]
MFCD01727570 | [Molecular Weight]
215.04 | [MOL File]
2491-36-3.mol |
| Chemical Properties | Back Directory | [Appearance]
Off-White Powder | [Melting point ]
44-48 °C(lit.) | [Boiling point ]
152-158 °C(Press: 18 Torr) | [density ]
1.622±0.06 g/cm3(Predicted) | [Fp ]
>230 °F
| [storage temp. ]
Keep Cold | [solubility ]
Chloroform, Methanol | [form ]
Solid | [pka]
7.63±0.30(Predicted) | [color ]
Yellow | [Sensitive ]
Lachrymatory | [InChI]
1S/C8H7BrO2/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4,10H,5H2 | [InChIKey]
SGPKEYSZPHMVNI-UHFFFAOYSA-N | [SMILES]
Oc1ccccc1C(=O)CBr | [CAS DataBase Reference]
2491-36-3(CAS DataBase Reference) | [Storage Precautions]
Moisture sensitive;Store under nitrogen |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R22:Harmful if swallowed.
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3263 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
KM5556400
| [Hazard Note ]
Corrosive/Lachrymatory/Keep Cold | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29147000 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Corr. 1B | [Toxicity]
mouse,LD50,oral,821mg/kg (821mg/kg),BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)LUNGS, THORAX, OR RESPIRATION: DYSPNEABEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 183, 1992. |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Powder | [Uses]
2-Bromo-2′-hydroxyacetophenone is used as a pharmaceutical intermediate. | [Synthesis]
The general procedure for the synthesis of 2-bromo-1-(2-hydroxyphenyl)ethanone from 2'-hydroxyacetophenone is as follows: in a 50 mL round-bottomed flask equipped with a magnetic stirrer, 2'-hydroxyacetophenone (10 mmol) was added. Subsequently, potassium bromide (40 mmol) dissolved in 20 mL of water was added to this solution and mixed with stirring at room temperature. Next, 30% hydrogen peroxide (4 mmol) was slowly added. Vanadium (V) complex (0.01 mmol) and 70% perchloric acid (4 mmol) were further added to the reaction system, and the reaction mixture was stirred at 0°C, followed by raising to room temperature and continued stirring for 10 minutes. Under continuous stirring conditions, additional 70% perchloric acid (4 mmol) was added every 10 min for three times. The reaction process was monitored by thin layer chromatography (TLC). The nuclear magnetic resonance (NMR) spectral data of the final brominated product is detailed in the Supporting Information. | [References]
[1] Tetrahedron Letters, 2009, vol. 50, # 6, p. 700 - 703
[2] Tetrahedron, 2001, vol. 57, # 11, p. 2203 - 2211
[3] Archiv der Pharmazie, 2009, vol. 342, # 9, p. 541 - 545
[4] Synthetic Communications, 2006, vol. 36, # 19, p. 2877 - 2881
[5] Journal of Organometallic Chemistry, 2018, vol. 876, p. 10 - 16 |
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