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2-Amino-5-Nitrotoluene

CAS: 99-52-5 | C7H8N2O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 99-52-5
Molecular Formula: C7H8N2O2
Molecular Weight: 152.153 g/mol

Names and Synonyms:

2-Amino-5-Nitrotoluene
Fast Red Salt RL
Red Base Ciba X
Naphtoelan Red RL Base
Mitsui Red RL Base
Meisei Fast Red RL Base
Kayaku Red RL Base
Kako Red RL Base
Hiltosal Fast Red RL Salt
Hiltonil Fast Red RL Base
Fast Red 5NT Salt
Fast Red RL Base
Fast Red Base RL
Fast Red 5NT
Diabase Red RL
Devol Red Salt E
Devol Red RL
Daito Red Base RL
Azogene Fast Red RL
Azogene Fast Red NRL Salt
Azoene Fast Red GL Base
Ansibases Red RL
2-Methyl-4-nitrobenzenamine
o-Toluidine, 4-nitro-
Red base RL
NSC 5508
NSC 2075
4-Nitro-2-toluidine
3-Methyl-4-aminonitrobenzene
4-Nitro-2-methylaniline
2-Methyl-p-nitroaniline
MNA (optical crystal)
MNA
2-Amino-1-methyl-5-nitrobenzene
2-Methyl-4-nitrophenylamine
1-Amino-2-methyl-4-nitrobenzene
5-Nitro-2-aminotoluene
4-Nitro-o-toluidine
2-Amino-5-nitrotoluene
4-Nitro-6-methylaniline
Yamada Fast Red RL Base
Tulabase Fast Red RL
Symulon Red RL Base
Spectrolene Red RL
Sanyo Fast Red Salt RL
Sanyo Fast Red RL Base
Red RL Base
Red Base NRL
Red Base Irga X
Benzenamine, 2-methyl-4-nitro-

Identifiers:

SMILES:
Cc1cc([N+](=O)[O-])ccc1N
InChI:
InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 152.15 g/mol Legacy Database
cas-canonical-smile O=N(=O)C1=CC=C(N)C(=C1)C None Legacy Database
cas-inchi InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3 None Legacy Database
cas-inchi-key InChIKey=XTTIQGSLJBWVIV-UHFFFAOYSA-N None Legacy Database
cas-melting-point 133.5 °C None Legacy Database
cas-name 2-Amino-5-nitrotoluene None Legacy Database
LogP 1.4854199999999997 RDKit

Molecular

Property Value Source
Molecular Weight 152.153 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 152.058577496 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 11 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 3 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 1 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 69.16 Ų RDKit

Molar

Property Value Source
Molar Refractivity 42.24580000000002 RDKit

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