Basic information
- CAS
4913-77-3- Standard SMILES
Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1- InChIKey
BBUQOIDPQZFKKY-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.04509162
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Amino-4'-chlorobenzophenone
- IUPAC
- (4-aminophenyl)-(4-chlorophenyl)methanone
- English name
- 4-Amino-4'-chlorobenzophenone
- Molecular formula
- C13H10ClNO
- Molecular weight
- 231.68
Names & synonyms
4913-77-34-AMINO-4'-CHLOROBENZOPHENONEDTXSID70393355RefChem:97761DTXCID60344215(4-aminophenyl)(4-chlorophenyl)methanone(4-aminophenyl)-(4-chlorophenyl)methanone4-(4-chlorobenzoyl)anilineOprea1_5092844-chloro-4'-aminobenzophenoneSCHEMBL47475664-amino-4' chloro-benzophenone
Show more names
Methanone, (4-aminophenyl)(4-chlorophenyl)-
4-Amino-4'-chloro-benzophenoneBBUQOIDPQZFKKY-UHFFFAOYSA-NMFCD01244946STK291000AKOS003273089SB80916(4-Aminophenyl)(4-chorophenyl)methanoneNCGC00332025-01
Database identifiers
- CAS
4913-77-3- PubChem CID
- 3528706
- DTXSID
DTXSID70393355- Nikkaji
- J80.921G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 104.5 °C · 104.5 °C
- Boiling point
- 262 °C · 262 °C(Press: 14 Torr)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.10(Predicted)
Chemistry & industry
Suppliers9 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
杭州氟药药业有限公司0571-85586753 13336034509 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
杭州氟药药业有限公司+86-0571-85586753 +86-13336034509 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
15 records
Compound notes
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