CAS 17329-87-2 Acetanilide, 2-chloro-4'-nitro- (HCID 140220)

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Basic information

CAS: 17329-87-2
Standard SMILES: O=C(CCl)Nc1ccc([N+](=O)[O-])cc1
InChIKey: AZURFBCEYQYATI-UHFFFAOYSA-N
Molecular formula: C8H7ClN2O3
Average molar mass: 214.6 g/mol
Monoisotopic mass: 214.01451976

Names & identifiers

Preferred name: Acetanilide, 2-chloro-4'-nitro-
IUPAC: 2-chloro-N-(4-nitrophenyl)acetamide
English name: N1-(4-Nitrophenyl)-2-chloroacetamide
Molecular formula: C8H7ClN2O3
Molecular weight: 214.61

Names & synonyms

17329-87-2Acetanilide, 2-chloro-4'-nitro-DTXSID50169575RefChem:1075461DTXCID70920662-Chloro-N-(4-nitrophenyl)acetamide2-Chloro-4'-nitroacetanilideN1-(4-Nitrophenyl)-2-chloroacetamideAcetamide, 2-chloro-N-(4-nitrophenyl)-MFCD000313374-Nitro-a-chloroacetanilideN-(Chloroacetyl)-4-nitroaniline

Show more names

AKOS B015648ASISCHEM W69313ART-CHEM-BB B015648CHEMBRDG-BB 3015648Intedanib Impurity 38p-Nitro-α-chloroacetoanilide4'-Nitro-2-chloroacetanilide2-Chloro-4’-nitroacetanilide

2-Chloro-N-(p-nitrophenyl)acetamide2-Chloro-4`-Nitroacetanilidep-Nitro-alpha-chloroacetoanilideN-(4-Nitrophenyl)-2-chloroacetamideNSC1609222-Chloro-N-(4-nitro-phenyl)-acetamideAcetamide,2-chloro-N-(4-nitrophenyl)-SCHEMBL853676

Database identifiers

CAS: 17329-87-2
PubChem CID: 140220
DTXSID

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 74.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 221

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 182 °C · 182 °C(Solv: ethanol (64-17-5))
Boiling point: 439.4 · 439.4±30.0 °C(Predicted)
Density: 1.472 · 1.472±0.06 g/cm3(Predicted)
pka: 11.69 · 11.69±0.70(Predicted)
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-P330-P361-P403+P233-P405-P501
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2924190090 · 2924190090

Safety & regulation

Safety data

hs_code: 2924190090
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: Xi
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-P330-P361-P403+P233-P405-P501