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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
Names and Synonyms:
2-Fluorobenzyl Chloride
Benzene, 1-(chloromethyl)-2-fluoro-
Toluene, α-chloro-o-fluoro-
1-(Chloromethyl)-2-fluorobenzene
o-Fluorobenzyl chloride
2-Fluorobenzyl chloride
α-Chloro-2-fluorotoluene
α-Chloro-o-fluorotoluene
o-fluorobenzyl chloride
NSC 88295
2-Fluorophenylmethyl chloride
Identifiers:
SMILES:
Fc1ccccc1CCl
InChI:
InChI=1S/C7H6ClF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
Key Properties
Boiling Point
86 °C
CAS Common Chemistry
Melting Point
36-38 °C
CAS Common Chemistry
Density
1.22 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 | 144.58 g/mol | CAS Common Chemistry |
| 144.576 g/mol | RDKit | |
| 144.014206092 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.2162 g/cm3 @ Temp: 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 |
| Molar Refractivity | 35.95700000000001 | RDKit |
