2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone

HCID 12782825

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Basic information

CAS: 180854-85-7
Standard SMILES: O=C(CCl)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl
InChIKey: YBAJRIMWOFPRTG-UHFFFAOYSA-N
Molecular formula: C15H10Cl2N2O4
Average molar mass: 353.2 g/mol
Monoisotopic mass: 352.0017622

Names & identifiers

Preferred name: 2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone
IUPAC: 2-chloro-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
English name: 2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone
Molecular formula: C15H10Cl2N2O4
Molecular weight: 353.16

Names & synonyms

180854-85-72-Chloro-N-(2-(2-chlorobenzoyl)-4-nitrophenyl)acetamide2-(2-Chloroacetamido)-5-nitro-2'-chlorobenzophenone2-CHLORO-N-[2-(2-CHLOROBENZOYL)-4-NITROPHENYL]ACETAMIDEBRW3BG4SL9DTXSID90509759RefChem:1060843DTXCID20460566Acetamide, 2-chloro-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]-Clonazepam Impurity 3MFCD00799975C15H10Cl2N2O4

Show more names

2-Chloroacetylamido-5-nitro-2`-chlorobenzophenoneClonazepam Impurity 1Clonazepam Impurity 9Clonazepam Impurity 142-(2-Chloroacetamido)-2'-chloro-5-nitrobenzophenone2-Chloroacetylamido-5-Nitro-2'-Chlorobenzophenone (ClAc-CNAB)

Acetamide, 2-chloro-N-(2-(2-chlorobenzoyl)-4-nitrophenyl)-UNII-BRW3BG4SL9SCHEMBL287311022-chloro-N-[2-(2-chlorobenzoyl)-4-nitro-phenyl]acetamideAKOS015912168SB83684DS-18452SY067253

Database identifiers

CAS: 180854-85-7
PubChem CID: 12782825
DTXSID: DTXSID90509759
UNII: BRW3BG4SL9

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 92 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 469

Physicochemical properties

Boiling point: 607.8 · 607.8±55.0 °C(Predicted)
Density: 1.497 · 1.497±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Acetonitrile (Slightly), DMSO (Heated), Methanol (Slightly, Heated)
pka: 10.96 · 10.96±0.70(Predicted)
form: Solid
color: Off-White to Pale Yellow
InChI: InChI=1S/C15H10Cl2N2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)
InChIKey: YBAJRIMWOFPRTG-UHFFFAOYSA-N
SMILES: C(NC1=CC=C([N+]([O-])=O)C=C1C(=O)C1=CC=CC=C1Cl)(=O)CCl
FDA UNII: 3 BG4SL9 · BRW3BG4SL9
HS Code: 29223990 · 29223990

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

hs_code: 29223990

Chemistry & industry

Applications

Uses2-Chloro-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide is a reactant in the synthesis of Clonazepam (C587080) which is an antiepileptic agent with anxiolytic and antimanic properties.

Suppliers91 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

济南深丽康化工科技有限公司0531-86092839 15318817273 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

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