Back to Search
2-Chloro-N-Methyl-N-Phenylacetamide
CAS: 2620-05-5 | C9H10ClNO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2620-05-5
Molecular Formula:
C9H10ClNO
Molecular Mass:
183.64 g/mol
Names and Synonyms:
2-Chloro-N-Methyl-N-Phenylacetamide
Acetamide, 2-chloro-N-methyl-N-phenyl-
Acetanilide, 2-chloro-N-methyl-
2-Chloro-N-methyl-N-phenylacetamide
N-Chloroacetyl-N-methylaniline
2-Chloro-N-methylacetanilide
N-Methylchloroacetanilide
α-Chloro-N-methylacetanilide
Chloroacetic acid N-methylanilide
NSC 8283
N-Methyl-N-phenylchloracetamide
N-Methyl-N-phenylchloroacetamide
[N-Methyl-N-(phenyl)aminocarbonylmethyl]chloride
Identifiers:
SMILES:
CN(C(=O)CCl)c1ccccc1
InChI:
InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
Key Properties
Boiling Point
126-132 °C @ Press: 6 Torr
CAS Common Chemistry
Melting Point
70 °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 | 183.64 g/mol | CAS Common Chemistry |
| 183.63800000000003 g/mol | RDKit | |
| 183.04509162 g/mol | RDKit | |
| Boiling Point | 126-132 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(N(C=1C=CC=CC1)C)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C9H10ClNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VUOFGWLJEBESHL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70 °C | CAS Common Chemistry |
| Name | 2-Chloro-N-methyl-N-phenylacetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.310000000000002 Ų | RDKit |
| LogP | 1.8881999999999999 | RDKit |
| Molar Refractivity | 50.57200000000003 | RDKit |
