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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 Weight:
50.488 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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 50.49 g/mol | Legacy Database |
| density | 0.91 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Chloromethane | Legacy Database | |
| cas-boiling-point | -23.7 °C | Legacy Database | |
| cas-canonical-smile | ClC | Legacy Database | |
| cas-density | 0.911 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/CH3Cl/c1-2/h1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=NEHMKBQYUWJMIP-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -97 °C | Legacy Database | |
| cas-name | Methyl chloride | Legacy Database | |
| wikipedia-name | Chloromethane | Legacy Database | |
| LogP | 0.855 | RDKit | |
| Molecular | Molecular Weight | 50.488 g/mol | RDKit |
| Exact | Exact Molecular Weight | 49.992327775999996 g/mol | RDKit |
| Heavy | Heavy Atom Count | 2 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 11.777000000000001 | RDKit |
