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Benzidine
CAS: 92-87-5 | C12H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
92-87-5
Molecular Formula:
C12H12N2
Molecular Mass:
184.24 g/mol
Names and Synonyms:
Benzidine
[1,1′-Biphenyl]-4,4′-diamine
Benzidine
4,4′-Biphenyldiamine
C.I. Azoic Diazo Component 112
4,4′-Diaminobiphenyl
p-Diaminodiphenyl
4,4′-Diphenylenediamine
Fast Corinth Base B
4,4′-Bianiline
4,4′-Diaminodiphenyl
p,p′-Diaminobiphenyl
p,p′-Bianiline
4,4′-Diamino-1,1′-biphenyl
4′-Amino-[1,1′-biphenyl]-4-ylamine
4-(4-Aminophenyl)aniline
NSC 146476
4,4′-Diaminobenzidine
Identifiers:
SMILES:
Nc1ccc(-c2ccc(N)cc2)cc1
InChI:
InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
Key Properties
Boiling Point
401 °C
CAS Common Chemistry
Melting Point
120 °C
CAS Common Chemistry
Density
1.25 g/cm³
CAS Common Chemistry
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.24 g/mol | CAS Common Chemistry |
| 184.242 g/mol | RDKit | |
| 184.100048384 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.250 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzidine | CAS Common Chemistry |
| Boiling Point | 401 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC(=CC1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HFACYLZERDEVSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | 4,4′-Diaminodiphenyl | CAS Common Chemistry |
| Benzidine | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 2.5180000000000007 | RDKit |
| Molar Refractivity | 60.70280000000001 | RDKit |
