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4′-Chloro[1,1′-Biphenyl]-4-Amine
CAS: 135-68-2 | C12H10ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
135-68-2
Molecular Formula:
C12H10ClN
Molecular Mass:
203.67 g/mol
Names and Synonyms:
4′-Chloro[1,1′-Biphenyl]-4-Amine
[1,1′-Biphenyl]-4-amine, 4′-chloro-
4-Biphenylamine, 4′-chloro-
4′-Chloro[1,1′-biphenyl]-4-amine
p-Amino-p′-chlorobiphenyl
4-Amino-4′-chlorobiphenyl
4-Amino-4′-chlorodiphenyl
p′-Chloro-p-phenylaniline
4′-Chloro-4-aminobiphenyl
4′-Chloro-4-biphenylamine
4-Chloro-4′-aminobiphenyl
NSC 95713
(4′-Chlorobiphenyl-4-yl)amine
4-(4-Chlorophenyl)aniline
4′-Chloro-[1,1′-biphenyl]-4-amine
4-Amino-4′-chloro-1,1′-biphenyl
Identifiers:
SMILES:
Nc1ccc(-c2ccc(Cl)cc2)cc1
InChI:
InChI=1S/C12H10ClN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
Key Properties
Melting Point
134 °C
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 | 203.67 g/mol | CAS Common Chemistry |
| 203.67200000000003 g/mol | RDKit | |
| 203.050177 g/mol | RDKit | |
| Canonical SMILES | ClC=1C=CC(=CC1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10ClN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OREQWMWYRYXCDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | 4′-Chloro[1,1′-biphenyl]-4-amine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.5892000000000017 | RDKit |
| Molar Refractivity | 61.30040000000002 | RDKit |
