Basic information
- CAS
60773-49-1- Standard SMILES
Nc1ccc(Br)cc1C(=O)c1ccccc1Cl- InChIKey
GTLLBGFJGUJABH-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO
- Average molar mass
- 310.57 g/mol
- Monoisotopic mass
- 308.95560369
Overview
model of phenazepam hydroxylation; structure given in first source
Names & identifiers
- Preferred name
- 5-Bromo-2'-chloro-2-aminobenzophenone
- IUPAC
- (2-amino-5-bromophenyl)-(2-chlorophenyl)methanone
- English name
- 2-Amino-5-bromine-2'-chloro benzophenone
- Molecular formula
- C13H9BrClNO
- Molecular weight
- 310.57
Names & synonyms
60773-49-15-Bromo-2'-chloro-2-aminobenzophenoneBCABPDTXSID20209598RefChem:102088DTXCID701320892-amino-5-bromo-2'-chlorobenzophenone(2-amino-5-bromophenyl)(2-chlorophenyl)methanoneMethanone, (2-amino-5-bromophenyl)(chlorophenyl)-MFCD00156812(2-amino-5-bromophenyl)-(2-chlorophenyl)methanone(2-Amino-5-bromo-phenyl)-(2-chloro-phenyl)-methanone
Show more names
IFLAB-BB F1386-03562-Amino-5-Bromine-2-Chloro2-Amino-5-bromine-2'-chlorobenzophenone2-AMINO-5-BROMINE-2'-CHLORO BENZOPHENONEMethanone,(2-aMino-5-broMophenyl)(2-chlorophenyl)-(E)-1,5-diphenyl-3-(2-phenylethynyl)-3-pent-1-en-4-ynol
2-Amino-5-bromo-2 inverted exclamation mark -chlorobenzophenone4-bromo-2-(2-chlorobenzoyl)aniline2-Amino-5-bromo-2-chlorobenzophenoneSCHEMBL332634(2-amino-5-bromo-phenyl)-(2-chlorophenyl)methanoneMethanone, (2-amino-5-bromophenyl)(2-chlorophenyl)-orb2814366SCHEMBL31315936
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 85 · 85-87°C
- Boiling point
- 456.2 · 456.2±40.0 °C(Predicted)
- Density
- 1.568 · 1.568±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -1.03 · -1.03±0.10(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C13H9BrClNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2
- InChIKey
- GTLLBGFJGUJABH-UHFFFAOYSA-N
- SMILES
- C(C1=CC(Br)=CC=C1N)(C1=CC=CC=C1Cl)=O
- CAS DataBase Reference
- 60773 · 60773-49-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety data
- hs_code
- 29223990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesPhenazepam metabolite.
Upstream & downstream products
Upstream raw materials
Suppliers76 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
Related reactions
5 records
Compound notes
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