N-Methyl-4-nitroaniline

• CAS: 100-15-2
• Catalog Number: ACM100152-1
• Category: Amines
• 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)
• 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
• 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
• Density: 1.201 g/ml
• Solubility: less than 1 mg/mL at 66° F (NTP, 1992)
• Complexity: 136
• Covalently-Bonded Unit Count: 1
• EC Number: 202-823-2
• Exact Mass: 152.058578g/mol
• Formal Charge: 0
• Hazard Statements: H301 + H311 + H331-H373-H410
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 11
• LogP: 2.04 (LogP)
• Monoisotopic Mass: 152.058578g/mol
• NSC Number: 5390
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 1
• Symbol: GHS06
• UN Number: 1661
• XLogP3: 2

Custom Q&A

What is the molecular formula of N-Methyl-4-nitroaniline?

The molecular formula of N-Methyl-4-nitroaniline is C7H8N2O2.

What is the molecular weight of N-Methyl-4-nitroaniline?

The molecular weight of N-Methyl-4-nitroaniline is 152.15 g/mol.

What are the synonyms of N-Methyl-4-nitroaniline?

The synonyms of N-Methyl-4-nitroaniline include Benzenamine, N-methyl-4-nitro-, N-Methyl-p-nitroaniline, and 4-Nitro-N-methylaniline.

What is the IUPAC name of N-Methyl-4-nitroaniline?

The IUPAC name of N-Methyl-4-nitroaniline is N-methyl-4-nitroaniline.

What is the InChI of N-Methyl-4-nitroaniline?

The InChI of N-Methyl-4-nitroaniline is InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3.

What is the InChIKey of N-Methyl-4-nitroaniline?

The InChIKey of N-Methyl-4-nitroaniline is XIFJZJPMHNUGRA-UHFFFAOYSA-N.

What is the canonical SMILES of N-Methyl-4-nitroaniline?

The canonical SMILES of N-Methyl-4-nitroaniline is CNC1=CC=C(C=C1)[N+](=O)[O-].

What is the CAS number of N-Methyl-4-nitroaniline?

The CAS number of N-Methyl-4-nitroaniline is 100-15-2.

What is the DSSTox Substance ID of N-Methyl-4-nitroaniline?

The DSSTox Substance ID of N-Methyl-4-nitroaniline is DTXSID7025635.