Basic information
- Standard SMILES
O=C(CBr)c1ccccc1O- InChIKey
SGPKEYSZPHMVNI-UHFFFAOYSA-N- Molecular formula
- C8H7BrO2
- Average molar mass
- 215.04 g/mol
- Monoisotopic mass
- 213.96294156
Names & identifiers
- Preferred name
- 2-Bromo-2'-hydroxyacetophenone
- IUPAC
- 2-bromo-1-(2-hydroxyphenyl)ethanone
- English name
- 2-Bromo-2′-hydroxyacetophenone
- Molecular formula
- C8H7BrO2
- Molecular weight
- 215.04
Names & synonyms
2-Bromo-2'-hydroxyacetophenone2-Bromo-1-(2-hydroxyphenyl)ethanoneRefChem:466123626-439-32491-36-32-Hydroxyphenacyl bromideEthanone, 2-bromo-1-(2-hydroxyphenyl)-2-bromo-1-(2-hydroxyphenyl)ethan-1-oneMFCD017275702-bromo-1-(2-hydroxy-phenyl)-ethanone2-Bromo-2'-hydroxylacetophenone4-08-00-00329 (Beilstein Handbook Reference)
Show more names
2-AMINO-3'2-Bromo-2′Cyclohexane Impurity 42-Bromo-2’-hydroxyacetophenone2-(2-bromoacetyl)hydroxybenzene2-Bromo-2'-hydroxyacetophenone 97%
2-Bromo-2'-hydroxyacetophenone, 97%EN300-49229BRN 0637210FT-0652594SCHEMBL17011422-Bromo-2 inverted exclamation mark -hydroxyacetophenone2-Bromo-2 inverted exclamation marka-hydroxyacetophenoneSCHEMBL29845700
Database identifiers
- CAS
2491-36-3- PubChem CID
- 200671
- DTXSID
DTXSID90179618- EC Number
- 626-439-3
- Nikkaji
- J1.630.673H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 44 · 44-48 °C(lit.)
- Boiling point
- 152 · 152-158 °C(Press: 18 Torr)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Chloroform, Methanol
- pka
- 7.63 · 7.63±0.30(Predicted)
- form
- Solid
- 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 · 2491-36-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
- Precautionary statements
- 260 · P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 22 · 22-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3263 · UN 3263 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 5556400 · KM5556400
- Hazard Note
- Corrosive/Lachrymatory/Keep Cold
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29147000 · 29147000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
- Toxicity
- 50 · 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.
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- KM5556400
- ridadr
- UN 3263 8/PG 2
- hs_code
- 29147000
- 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.
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory/Keep Cold
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H302-H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- Precautionary statements
- P260-P270-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-2′-hydroxyacetophenone is used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Hangzhou Milon Pharmatech Co.,Ltd.+86-18083715844 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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Syntechem Co.,Ltd[email protected]
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武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
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ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
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艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海双锕化学科技有限公司15010167677 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
Related reactions
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