N-Methyl-4-nitroaniline

Catalog Number

ACM100152-1

CAS

100-15-2

Structure

Synonyms

4-METHYLAMINONITROBENZENE;4-nitro-n-methylaniline;N-METHYL-P-NITROANILINE;N-METHYL-4-NITROANILINE;P-NITRO-N-METHYLANILINE;Aniline,N-methyl-p-nitro-;Benzenamine,N-methyl-4-nitro-;n-methyl-4-nitro-benzenamin

IUPAC Name

N-methyl-4-nitroaniline

Molecular Weight

152.15

Molecular Formula

C7H8N2O2

Description

N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)

Canonical SMILES

CNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3

InChI Key

XIFJZJPMHNUGRA-UHFFFAOYSA-N

Boiling Point

52.0 °C

Melting Point

306 °F (NTP, 1992);152.0 °C

Purity

95%+

Density

1.201 g/ml

Solubility

less than 1 mg/mL at 66° F (NTP, 1992)

• Catalog Number: ACM100152-1
• CAS: 100-15-2
• Synonyms: 4-METHYLAMINONITROBENZENE;4-nitro-n-methylaniline;N-METHYL-P-NITROANILINE;N-METHYL-4-NITROANILINE;P-NITRO-N-METHYLANILINE;Aniline,N-methyl-p-nitro-;Benzenamine,N-methyl-4-nitro-;n-methyl-4-nitro-benzenamin
• IUPAC Name: N-methyl-4-nitroaniline
• Molecular Weight: 152.15
• Molecular Formula: C7H8N2O2
• Description: N-methyl-4-nitroaniline appears as brownish-yellow prisms with violet reflex (from ethanol) or yellow powder. (NTP, 1992)
• Canonical SMILES: CNC1=CC=C(C=C1)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
• InChI Key: XIFJZJPMHNUGRA-UHFFFAOYSA-N
• Boiling Point: 52.0 °C
• Melting Point: 306 °F (NTP, 1992);152.0 °C
• Purity: 95%+
• Density: 1.201 g/ml
• Solubility: less than 1 mg/mL at 66° F (NTP, 1992)