Basic information
- CAS
4254-20-0- Standard SMILES
O=C(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1- InChIKey
UCXPESOPEKJXJR-UHFFFAOYSA-N- Molecular formula
- C14H10Cl2O2
- Average molar mass
- 281.1 g/mol
- Monoisotopic mass
- 280.0057849
Names & identifiers
- Preferred name
- 1,2-Bis(4-chlorophenyl)-2-hydroxyethanone
- IUPAC
- 1,2-bis(4-chlorophenyl)-2-hydroxyethanone
- English name
- 4,4'-Dichlorobenzoin
- Molecular formula
- C14H10Cl2O2
- Molecular weight
- 281.13
Names & synonyms
1,2-Bis(4-chlorophenyl)-2-hydroxyethanone4254-20-04,4'-dichlorobenzoin1,2-bis(4-chlorophenyl)-2-hydroxyethan-1-one1,2-bis-(4-chloro-phenyl)-2-hydroxy-ethanoneBenzoin,4'-dichloro-Ethanone,2-bis(4-chlorophenyl)-2-hydroxy-NSC364Benzoin, 4,4'-dichloro-Ethanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-SCHEMBL1546852CHEMBL1993668
Show more names
4,4-Dichlorobenzoine2-Hydroxy-1,2-bis(4-chlorophenyl)ethanoneα-Hydroxy-α-(4-chlorophenyl)-4'-chloroacetophenone
DTXSID60277014NSC-364CS-M0345NSC58308MFCD00053219NSC-58308AKOS015951048SB37158
Database identifiers
- CAS
4254-20-0- PubChem CID
- 219286
- DTXSID
DTXSID60277014- ChEMBL
CHEMBL1993668- Nikkaji
- J80.778H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 88 °C · 88 °C
- Boiling point
- 439.1 · 439.1±35.0 °C(Predicted)
- Density
- 1.379 · 1.379±0.06 g/cm3(Predicted)
- pka
- 11.62 · 11.62±0.20(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers16 total
上海策嵘生物科技有限公司[email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
阜新策嵘生物科技有限公司（中试车间）13062833949 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
Related reactions
4 records
Compound notes
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