Completing data — usually done within a minute
Basic information
- CAS
59443-15-1- Standard SMILES
CC(=O)c1cc(Cl)cc(Br)c1O- InChIKey
FFAVKFQPEOGJOA-UHFFFAOYSA-N- Molecular formula
- C8H6BrClO2
- Average molar mass
- 249.491 g/mol
- Monoisotopic mass
- 247.92396921
Names & identifiers
- Preferred name
- 3'-Bromo-5'-chloro-2'-hydroxyacetophenone
- IUPAC
- 1-(3-Bromo-5-chloro-2-hydroxyphenyl)ethan-1-one
- English name
- 3'-BROMO-5'-CHLORO-2'-HYDROXYACETOPHENONE
- Molecular formula
- C8H6BrClO2
- Molecular weight
- 249.49
Names & synonyms
AKOS BB-69362-ACETYL-6-BROMO-4-CHLOROPHENOL3-Bromo-5-chloro-2-hydroxyacetoohenone5-CHLORO-3-BROMO-2-HYDROXYACETOPHENONE3'-Bromo-5'-chloro-2-hydroxyacetophenone3'-Bromo-5'-chloro-2'-hydroxyacetophenone5’-Bromo-3’-chloro-2’-hydroxyacetophenone3'-Bromo-5'-chloro-2'-hydroxyacetophenone5-CHLORO-3-BROMO-2-HYDROXYACETOPHENONE,97 %1-(3-bromo-5-chloro-2-hydroxyphenyl)ethanone
Database identifiers
- CAS
59443-15-1- PubChem CID
- 2735546
- DTXSID
DTXSID50370785- EC Number
- 626-689-3
- Nikkaji
- J1.911.022B
Properties
Physicochemical properties
- Melting point
- 100 · 100-103 °C(lit.)
- Boiling point
- 297.8 · 297.8±40.0 °C(Predicted)
- Density
- 1.691 · 1.691±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 8.19 · 8.19±0.23(Predicted)
- color
- Light orange to Yellow to Green
- InChI
- 1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3
- InChIKey
- FFAVKFQPEOGJOA-UHFFFAOYSA-N
- SMILES
- CC(=O)c1cc(Cl)cc(Br)c1O
- CAS DataBase Reference
- 59443 · 59443-15-1(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3′-Bromo-5′-chloro-2′-hydroxyacetophenone is a halogenated aromatic hydroxyl ketone. It participates in the synthesis of racemates of 8-bromo-6-chloro-2-alkyl substituted chroman-4-ones.
General Description3′-Bromo-5′-chloro-2′-hydroxyacetophenone is a halogenated aromatic hydroxyl ketone. It participates in the synthesis of racemates of 8-bromo-6-chloro-2-alkyl substituted chroman-4-ones.
Preparation methods
PreparationPreparation by bromination of 5-chloro-2-hydroxyacetophenone in acetic acid (65%).
Upstream & downstream products
Upstream raw materials
Suppliers70 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
3 records
Compound notes
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