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Molecule
2-Chloro-2,2-Difluoroacetyl Chloride
CAS: 354-24-5 · C2Cl2F2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 354-24-5
- Molecular Formula
- C2Cl2F2O
- Molecular Mass
- 148.92 g/mol
Identifiers
CAS Registry Number
354-24-5
SMILES
O=C(Cl)C(F)(F)Cl
InChI Key
AZPWOLJQERBBBM-UHFFFAOYSA-N
InChI
InChI=1S/C2Cl2F2O/c3-1(7)2(4,5)6
Names and Synonyms
- 2-Chloro-2,2-Difluoroacetyl Chloride Synonym
- Acetyl chloride, 2-chloro-2,2-difluoro- Synonym
- Acetyl chloride, chlorodifluoro- Synonym
- 2-Chloro-2,2-difluoroacetyl chloride Synonym
- Chlorodifluoroacetyl chloride Synonym
- Difluorochloroacetyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 148.92 g/mol | CAS Common Chemistry |
| 148.923 g/mol | RDKit | |
| 148.917 g/mol | chempirical lib | |
| Boiling Point | 34 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C(F)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C2Cl2F2O/c3-1(7)2(4,5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=AZPWOLJQERBBBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-2,2-difluoroacetyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.5834000000000001 | RDKit |
| 1.5834 | RDKit | |
| Molar Refractivity | 21.66 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 147.92942642 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 148.92 g/mol. Edit any field — others recompute live.
