Back to Search
Chloromethane
CAS: 74-87-3 | CH3Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-87-3
Molecular Formula:
CH3Cl
Molecular Mass:
50.49 g/mol
Names and Synonyms:
Chloromethane
R 40
Methane, chloro-
Chloromethane
Artic
Methyl chloride
Monochloromethane
HCC 40
R 40 (refrigerant)
F 40
Chloromethane dimer
Identifiers:
SMILES:
CCl
InChI:
InChI=1S/CH3Cl/c1-2/h1H3
Key Properties
Boiling Point
-23.7 °C
CAS Common Chemistry
Melting Point
-97 °C
CAS Common Chemistry
Density
0.91 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 | 50.49 g/mol | CAS Common Chemistry |
| 50.488 g/mol | RDKit | |
| 49.992327775999996 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.911 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloromethane | CAS Common Chemistry |
| Boiling Point | -23.7 °C | CAS Common Chemistry |
| Canonical SMILES | ClC | CAS Common Chemistry |
| InChI | InChI=1S/CH3Cl/c1-2/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NEHMKBQYUWJMIP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -97 °C | CAS Common Chemistry |
| Name | Methyl chloride | CAS Common Chemistry |
| Chloromethane | CAS Common Chemistry | |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.855 | RDKit |
| Molar Refractivity | 11.777000000000001 | RDKit |
