4'-Methoxy-3'-nitroacetanilide

HCID 95043CAS 50651-39-3

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(NC(C)=O)cc1[N+](=O)[O-]
InChIKey: MYIUWCZXTNZSMN-UHFFFAOYSA-N
Molecular formula: C9H10N2O4
Average molar mass: 210.19 g/mol
Monoisotopic mass: 210.0640568

Names & identifiers

Preferred name: 4'-Methoxy-3'-nitroacetanilide
IUPAC: N-(4-methoxy-3-nitrophenyl)acetamide
English name: N-(4-METHOXY-3-NITROPHENYL)ACETAMIDE
Molecular formula: C9H10N2O4
Molecular weight: 210.19

Names & synonyms

N-(4-Methoxy-3-nitrophenyl)acetamide50651-39-3Acetamide, N-(4-methoxy-3-nitrophenyl)-4-Acetylamino-2-nitroanisole3'-Nitro-p-acetanisidide4'-Methoxy-3'-nitroacetanilide2-nitro-4-acetamidoanisoleZ2EJ3R0WMAEINECS 256-686-9NSC 14685NSC-14685J30.007A

Show more names

Paracetamol Impurity 442-Nitro-4-carbamoylanisole4-Methoxy-3-nitroacetailide4-METHOXY-3-NITROACETANILIDE4-methoxy-3-nitroacetaniline4-methoxyl-3-nitroacetanilinen-(4-methoxy-3-nitrophenyl)-acetamid

DTXSID60280204-ACETAMIDO-2-NITROANISOLEP-ACETANISIDIDE, 3'-NITRO-RefChem:506171DTXCID408020256-686-94'-Methoxy-3'-nitroacetanilde4//'-Methoxy-3//'-nitroacetanilide

Database identifiers

CAS: 50651-39-3
PubChem CID: 95043
DTXSID: DTXSID6028020
UNII: Z2EJ3R0WMA
EC Number: 256-686-9
Nikkaji: J30.007A

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 251

Physicochemical properties

Melting point: 144 · 144-145 °C
Boiling point: 424.1 · 424.1±35.0 °C(Predicted)
Density: 1.327 · 1.327±0.06 g/cm3(Predicted)
pka: 13.61 · 13.61±0.70(Predicted)
FDA UNII: 2 EJ3R0WMA · Z2EJ3R0WMA
EPA Substance Registry System: Acetamide, N-(4-methoxy-3-nitrophenyl)- (50651-39-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
TSCA: TSCA listed
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, 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.