CAS 10147-71-4 2-chloro-N-(3-nitrophenyl)acetamide (HCID 532066)

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Basic information

CAS: 10147-71-4
Standard SMILES: O=C(CCl)Nc1cccc([N+](=O)[O-])c1
InChIKey: UCBHRCPNMDOUMV-UHFFFAOYSA-N
Molecular formula: C8H7ClN2O3
Average molar mass: 214.6 g/mol
Monoisotopic mass: 214.0145198

Names & identifiers

Preferred name: 2-chloro-N-(3-nitrophenyl)acetamide
IUPAC: 2-chloro-N-(3-nitrophenyl)acetamide
English name: ALPHA-CHLORO-3-NITROACETANILIDE
Molecular formula: C8H7ClN2O3
Molecular weight: 214.61

Names & synonyms

2-chloro-N-(3-nitrophenyl)acetamideRefChem:470130680-975-210147-71-4Acetamide, 2-chloro-N-(3-nitrophenyl)-2-CHLORO-3'-NITROACETANILIDEMFCD000243592-Chloro-N-(3-nitro-phenyl)-acetamideAcetamide, N-(3-nitrophenyl)-2-chloro-N-chloroacetyl-3-nitroanilineSCHEMBL1969093SCHEMBL30069319

Show more names

ASISCHEM T92231LABOTEST-BB LT00455463à-chloro-3-nitroacetanilideN-CHLORO-3-NITROACETANILIDEa-Chloro-3-nitroacetanilideα-CHLORO-3-NITROACETANILIDEChloro-3-nitroacetanilide, 98%

DTXSID70906207ALBB-002278BBL013426N-(3-nitrophenyl)-2-chloroacetamideSBB058017STK3972732-chloro-N-(3-nitrophenyl)-acetamideAKOS000294931

Database identifiers

CAS: 10147-71-4
PubChem CID: 532066
DTXSID: DTXSID70906207
EC Number: 680-975-2

Properties

Computed structural properties

XLogP: 2.1
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: 229

Experimental & physicochemical properties

Kovats Retention Index1870

Physicochemical properties

Melting point: 112 · 112-115°C
Boiling point: 410.8 · 410.8±30.0 °C(Predicted)
Density: 1.472 · 1.472±0.06 g/cm3(Predicted)
pka: 11.98 · 11.98±0.70(Predicted)
BRN: 913533 · 913533
CAS DataBase Reference: 10147 · 10147-71-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-37

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (20%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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.