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Chlorotrifluoromethane
CAS: 75-72-9 | CClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-72-9
Molecular Formula:
CClF3
Molecular Mass:
104.46 g/mol
Names and Synonyms:
Chlorotrifluoromethane
Methane, chlorotrifluoro-
Chlorotrifluoromethane
F 13
Freon 13
Arcton 3
Genetron 13
Trifluorochloromethane
Trifluoromonochlorocarbon
R 13 (refrigerant)
Trifluoromethyl chloride
Monochlorotrifluoromethane
FC 13
Frigen 13
Refrigerant 13
Freon R 13
CFC 13
FKW 13
Khladon 13
R 13
Refrigerant R 13
F 13 (refrigerant)
HFC 13
Identifiers:
SMILES:
FC(F)(F)Cl
InChI:
InChI=1S/CClF3/c2-1(3,4)5
Key Properties
Boiling Point
-81.4 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-181 °C
CAS Common Chemistry
Density
1.30 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 | 104.46 g/mol | CAS Common Chemistry |
| 104.45800000000001 g/mol | RDKit | |
| 103.96406234 g/mol | RDKit | |
| Density | 1.30 g/cm³ | CAS Common Chemistry |
| 1.3 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorotrifluoromethane | CAS Common Chemistry |
| Boiling Point | -81.4 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/CClF3/c2-1(3,4)5 | CAS Common Chemistry |
| InChI Key | InChIKey=AFYPFACVUDMOHA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -181 °C | CAS Common Chemistry |
| Name | Chlorotrifluoromethane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.7449999999999999 | RDKit |
| Molar Refractivity | 11.908 | RDKit |
