Back to Search
Molecule
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
Identifiers
CAS Registry Number
74-87-3
SMILES
CCl
InChI Key
NEHMKBQYUWJMIP-UHFFFAOYSA-N
InChI
InChI=1S/CH3Cl/c1-2/h1H3
Names and Synonyms
- Chloromethane Synonym
- R 40 Synonym
- Methane, chloro- Synonym
- Chloromethane Synonym
- Artic Synonym
- Methyl chloride Synonym
- Monochloromethane Synonym
- HCC 40 Synonym
- R 40 (refrigerant) Synonym
- F 40 Synonym
- Chloromethane dimer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 50.49 g/mol | CAS Common Chemistry |
| 50.488 g/mol | RDKit | |
| 50.485 g/mol | chempirical lib | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.911 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 49.992327775999996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 50.49 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
