Basic information
- CAS
52864-56-9- Standard SMILES
O=C(O)Cc1ccc(Cl)cc1Br- InChIKey
BWAQWLHENYXBOQ-UHFFFAOYSA-N- Molecular formula
- C8H6BrClO2
- Average molar mass
- 249.49 g/mol
- Monoisotopic mass
- 247.92396921
Names & identifiers
- Preferred name
- 2-Bromo-4-chlorophenylacetic acid
- IUPAC
- 2-(2-bromo-4-chlorophenyl)acetic acid
- English name
- (2-bromo-4-chlorophenyl)acetic acid
- Molecular formula
- C8H6BrClO2
- Molecular weight
- 249.49
Names & synonyms
52864-56-92-Bromo-4-chlorophenylacetic acid2-(2-bromo-4-chlorophenyl)acetic acid(2-bromo-4-chlorophenyl)acetic acidMFCD090329512-Bromo-4-chlorophenylaceticacidSCHEMBL40478372-bromo-p-chlorophenylacetic acidDTXSID40618567SCHEMBL30452038BWAQWLHENYXBOQ-UHFFFAOYSA-BWAQWLHENYXBOQ-UHFFFAOYSA-N
Show more names
2-Bromo-4-chlorophenylaceticacid98%Benzeneacetic acid,2-broMo-4-chloro-(2-BROMO-4-CHLOROPHENYL)-ACETIC ACID 98%
2-Bromo-4-chlorobenzeneacetic acidCL8754(2-bromo-4-chlorophenyl)-acetic acidAKOS015890293CS-W005447GS-3989SY045471EN300-76360
Database identifiers
- CAS
52864-56-9- PubChem CID
- 21828503
- DTXSID
DTXSID40618567
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 129 · 129-131°
- Boiling point
- 347.7 · 347.7±27.0 °C(Predicted)
- Density
- 1.72 · 1.720±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.92 · 3.92±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H6BrClO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)
- InChIKey
- BWAQWLHENYXBOQ-UHFFFAOYSA-N
- SMILES
- C1(CC(O)=O)=CC=C(Cl)C=C1Br
- CAS DataBase Reference
- 52864 · 52864-56-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers80 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
2 records
Compound notes
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