Basic information
- CAS
7495-24-1- Standard SMILES
OC(CBr)c1ccc(Cl)c(Cl)c1- InChIKey
ZFMARCNWWLHGAZ-UHFFFAOYSA-N- Molecular formula
- C8H7BrCl2O
- Average molar mass
- 269.95 g/mol
- Monoisotopic mass
- 267.90573
Names & identifiers
- Preferred name
- 2-Bromo-1-(3,4-dichlorophenyl)ethanol
- IUPAC
- 2-bromo-1-(3,4-dichlorophenyl)ethanol
- English name
- 2-BroMo-1-(3,4-dichlorophenyl)ethanol
- Molecular formula
- C8H7BrCl2O
- Molecular weight
- 269.95
Names & synonyms
2-bromo-1-(3,4-dichlorophenyl)ethanol7495-24-1DTXSID20322296RefChem:256797DTXCID602734152-bromo-1-(3,4-dichlorophenyl)ethan-1-olNSC400870(R)-2-Bromo-1-(3,4-dichlorophenyl)ethanolSCHEMBL6926529ZFMARCNWWLHGAZ-UHFFFAOYSA-NMFCD14540500MFCD24346385
Show more names
Benzenemethanol, α-(bromomethyl)-3,4-dichloro-
AKOS017560604NSC-4008701-(3,4-dichlorophenyl)-2-bromoethanol871266-49-8SY358683SY358685DB-364650EN300-1239969
Database identifiers
- CAS
7495-24-1- PubChem CID
- 344136
- DTXSID
DTXSID20322296
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 59 · 59-60 °C
- Boiling point
- 329.6 · 329.6±37.0 °C(Predicted)
- Density
- 1.713 · 1.713±0.06 g/cm3(Predicted)
- pka
- 12.35 · 12.35±0.20(Predicted)
Chemistry & industry
Suppliers3 total
赛纳斯特化学(欢迎点击联系)021-60343070
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
7 records
Compound notes
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