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Molecule
2-Fluorobenzyl Chloride
CAS: 345-35-7 · C7H6ClF
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 345-35-7
- Molecular Formula
- C7H6ClF
- Molecular Mass
- 144.58 g/mol
Identifiers
CAS Registry Number
345-35-7
SMILES
Fc1ccccc1CCl
InChI Key
MOBRMRJUKNQBMY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
Names and Synonyms
- 2-Fluorobenzyl Chloride Synonym
- Benzene, 1-(chloromethyl)-2-fluoro- Synonym
- Toluene, α-chloro-o-fluoro- Synonym
- 1-(Chloromethyl)-2-fluorobenzene Synonym
- o-Fluorobenzyl chloride Synonym
- 2-Fluorobenzyl chloride Synonym
- α-Chloro-2-fluorotoluene Synonym
- α-Chloro-o-fluorotoluene Synonym
- o-fluorobenzyl chloride Synonym
- NSC 88295 Synonym
- 2-Fluorophenylmethyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.58 g/mol | CAS Common Chemistry |
| 144.576 g/mol | RDKit | |
| 144.573 g/mol | chempirical lib | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.2162 g/cm3 @ 24 °C | CAS Common Chemistry | |
| Boiling Point | 86 °C | CAS Common Chemistry |
| Canonical SMILES | FC=1C=CC=CC1CCl | CAS Common Chemistry |
| InChI | InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MOBRMRJUKNQBMY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 36-38 °C | CAS Common Chemistry |
| Name | 2-Fluorobenzyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.5645000000000007 | RDKit |
| 2.5645 | RDKit | |
| 2.51 | chempirical lib | |
| Molar Refractivity | 35.95700000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 144.014206092 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| 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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Quick conversion
MW = 144.58 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6ClF.
