2-chloro-N-(3-chloro-4-fluorophenyl)acetamide

HCID 735849

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Basic information

CAS: 96980-64-2
Standard SMILES: O=C(CCl)Nc1ccc(F)c(Cl)c1
InChIKey: DJPAQYXQRCWKEH-UHFFFAOYSA-N
Molecular formula: C8H6Cl2FNO
Average molar mass: 222.04 g/mol
Monoisotopic mass: 220.98104739

Names & identifiers

Preferred name: 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide
IUPAC: 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide
English name: 3-CHLORO-N-(CHLOROACETYL)-4-FLUOROANILINE
Molecular formula: C8H6Cl2FNO
Molecular weight: 222.04

Names & synonyms

2-chloro-N-(3-chloro-4-fluorophenyl)acetamide96980-64-2DTXSID00352859RefChem:259319DTXCID603039233-chloro-n-(chloroacetyl)-4-fluoroaniline2,3'-Dichloro-4'-fluoroacetanilideMFCD000849382,3'-dichloro-4-fluoroacetanilideAcetamide,2-chloro-N-(3-chloro-4-fluorophenyl)-N-(2-chloroacetyl)-3-chloro-4-fluoroanilineSCHEMBL4002460

Show more names

SKL820AKOS B006563AKOS BBS-00003991BUTTPARK 81\07-46ART-CHEM-BB B006563TIMTEC-BB SBB0021083-Chloro-N-(chloroacetyl)-4-fluoroaniline97%

SCHEMBL31023418JS-025CDJPAQYXQRCWKEH-UHFFFAOYSA-NALBB-002321SBB002108STK317808AKOS000266745SB79867

Database identifiers

CAS: 96980-64-2
PubChem CID: 735849
DTXSID: DTXSID00352859
EC Number: 671-994-7
Nikkaji: J1.589.941G

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Physicochemical properties

Melting point: 96 °C · 96 °C
Boiling point: 363.2 · 363.2±42.0 °C(Predicted)
Density: 1.479 · 1.479±0.06 g/cm3(Predicted)
form: Solid
pka: 11.21 · 11.21±0.70(Predicted)
CAS DataBase Reference: 96980 · 96980-64-2(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H311-H331-H341
Precautionary statements: 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P361-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2922290090
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H301-H311-H331-H341
Precautionary statements: P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P361-P403+P233-P405-P501