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Molecule
4-Chloro-N-Methylbenzenamine
CAS: 932-96-7 · C7H8ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 932-96-7
- Molecular Formula
- C7H8ClN
- Molecular Mass
- 141.60 g/mol
Identifiers
CAS Registry Number
932-96-7
SMILES
CNc1ccc(Cl)cc1
InChI Key
XCEYKKJMLOFDSS-UHFFFAOYSA-N
InChI
InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
Names and Synonyms
- 4-Chloro-N-Methylbenzenamine Synonym
- Benzenamine, 4-chloro-N-methyl- Synonym
- Aniline, p-chloro-N-methyl- Synonym
- 4-Chloro-N-methylbenzenamine Synonym
- N-Methyl-4-chloroaniline Synonym
- p-Chloro-N-methylaniline Synonym
- 4-Chloro-N-methylaniline Synonym
- N-Methyl-p-chloroaniline Synonym
- p-(Methylamino)chlorobenzene Synonym
- N-(4-Chlorophenyl)methylamine Synonym
- N-(4-Chlorophenyl)-N-methylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.60 g/mol | CAS Common Chemistry |
| 141.601 g/mol | RDKit | |
| 141.598 g/mol | chempirical lib | |
| Boiling Point | 240 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)NC | CAS Common Chemistry |
| InChI | InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCEYKKJMLOFDSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Chloro-N-methylbenzenamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.3817000000000004 | RDKit |
| 2.3817 | RDKit | |
| Molar Refractivity | 40.998700000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 141.034526936 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 141.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H8ClN.
