CAS 3289-75-6 2,4'-Dichloroacetanilide (HCID 94920)

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Basic information

CAS: 3289-75-6
Standard SMILES: O=C(CCl)Nc1ccc(Cl)cc1
InChIKey: UDRCRMHFHHTVSN-UHFFFAOYSA-N
Molecular formula: C8H7Cl2NO
Average molar mass: 204.05 g/mol
Monoisotopic mass: 202.9904692

Names & identifiers

Preferred name: 2,4'-Dichloroacetanilide
IUPAC: 2-chloro-N-(4-chlorophenyl)acetamide
English name: N-(4-Chlorophenyl)-2-chloroacetamide
Molecular formula: C8H7Cl2NO
Molecular weight: 204.05

Names & synonyms

2,4'-DichloroacetanilideRefChem:442657636-504-82-chloro-N-(4-chlorophenyl)acetamide3289-75-6N-(4-Chlorophenyl)-2-chloroacetamideN1-(4-Chlorophenyl)-2-ChloroacetamideMFCD00018904Acetamide, 2-chloro-N-(4-chlorophenyl)-NSC-83692,4 inverted exclamation marka-DichloroacetanilideNSC8369

Show more names

AKOS 92092AKOS B015617AKOS BBS-00003958ART-CHEM-BB B015617Acetanilide,2,4’-dichloro-4-Chloro-N-(chloroacetyl)aniline

N-(4-Chlorophenyl)chloroacetamideNSC 8369AI3-23540Chloroacet-4-chloroanilidealpha,4-Dichloroacetanilide2-Chloro-4'-chloroacetanilideAcetanilide, 2,4'-dichloro-GNF-Pf-1811

Database identifiers

CAS: 3289-75-6
PubChem CID: 94920
DTXSID: DTXSID90186544
ChEMBL: CHEMBL531947
UNII: PZ985JU2E3
EC Number: 636-504-8
Nikkaji: J1.395.872F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 168 °C · 168 °C
Boiling point: 368.8 · 368.8±27.0 °C(Predicted)
Density: 1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: Solid
pka: 12.02 · 12.02±0.70(Predicted)
color: Light brown to brown
CAS DataBase Reference: 3289 · 3289-75-6(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 317 · H317-H318
Precautionary statements: 261 · P261-P272-P280-P302+P352-P305+P351+P338-P310-P321-P333+P313-P363-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-22

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Sens. 1 (95.1%)；Eye Dam. 1 (100%)

Safety data

hs_code: 2921420090
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
hazard_note: Harmful
safety_code: 26-36/37/39-22
hazard_class: IRRITANT
Hazard statements: H317-H318
Precautionary statements: P261-P272-P280-P302+P352-P305+P351+P338-P310-P321-P333+P313-P363-P501