N-Methyl-4-nitroaniline

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Catalog Number
ACM100152-1
Product Name
N-Methyl-4-nitroaniline
Structure
Structure
CAS
100-15-2
Category
Amines
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
Molecular Weight
152.15
Molecular Formula
C7H8N2O2
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
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