5-Chloro-2-(chloroacetamido)benzophenone

HCID 77635CAS 4016-85-7

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIKey: HDXLZRWEZZFDKA-UHFFFAOYSA-N
Molecular formula: C15H11Cl2NO2
Average molar mass: 308.2 g/mol
Monoisotopic mass: 307.016684

Names & identifiers

Preferred name: 5-Chloro-2-(chloroacetamido)benzophenone
IUPAC: N-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide
English name: 2'-BENZOYL-2,4'-DICHLOROACETANILIDE
Molecular formula: C15H11Cl2NO2
Molecular weight: 308.16

Names & synonyms

N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamideAcetamide, N-(2-benzoyl-4-chlorophenyl)-2-chloro-EINECS 223-678-12-(2'-Chloroacetamido)-5-chlorobenzophenoneNSC 270127BRN 0805212PN6505V1YMChloroacetamido chlorobenzophenone2-(2-Chloroacetamido)-5-chlorobenzophenoneNSC-270127DTXSID001931685-CHLORO-2-(CHLOROACETAMIDO)BENZOPHENONE

Show more names

CCBAKOS BBS-00006348Alprazolam Impurity 3Alprazolam Impurity 8Alprazolam Impurity 142’-Benzoyl-2,4’-dichloroacetanilide

CHLOROACETAMIDO CHLOROBENZOPHENONE [USP IMPURITY]CHLOROACETAMIDO CHLOROBENZOPHENONE (USP IMPURITY)RefChem:534442DTXCID10115659223-678-14016-85-72'-Benzoyl-2,4'-dichloroacetanilide2-Chloroacetamido-5-chlorobenzophenone

Database identifiers

CAS: 4016-85-7
PubChem CID: 77635
DTXSID: DTXSID00193168
UNII: PN6505V1YM
EC Number: 223-678-1
Nikkaji: J23.135E

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 356

Physicochemical properties

Melting point: 119 · 119-123 °C(lit.)
Boiling point: 537.2 · 537.2±50.0 °C(Predicted)
Density: 1.375 · 1.375
solubility: Chloroform (Sparingly), Methanol (Slightly, Heated)
form: Solid
pka: 11.44 · 11.44±0.70(Predicted)
color: White to Off-White
InChI: 1S/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey: HDXLZRWEZZFDKA-UHFFFAOYSA-N
SMILES: ClCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2
CAS DataBase Reference: 4016 · 4016-85-7(CAS DataBase Reference)
FDA UNII: 6505 V1YM · PN6505V1YM
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 1759 · UN 1759 8/PG 3
WGK Germany: 3 · 3
RTECS: 4542650 · AB4542650
HS Code: 2924190090 · 2924190090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
rtecs: AB4542650
ridadr: UN 1759 8/PG 3
hs_code: 2924190090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P305+P351+P338-P310