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Isopropyl Chloride
CAS: 75-29-6 | C3H7Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-29-6
Molecular Formula:
C3H7Cl
Molecular Weight:
78.542 g/mol
Names and Synonyms:
Isopropyl Chloride
LBL 2
R 280da
Chlorodimethylmethane
sec-Propyl chloride
2-Propyl chloride
Narcosop
Isopropyl chloride
Isoprid
2-Chloropropane
Propane, 2-chloro-
Identifiers:
SMILES:
CC(C)Cl
InChI:
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 78.542 g/mol | RDKit |
| Exact | Exact Molecular Weight | 78.023627904 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 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 |
| Physical Properties | LogP | 1.6336 | RDKit |
| molecular_mass | 78.54 g/mol | Legacy Database | |
| density | 0.86 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Isopropyl_chloride | Legacy Database | |
| cas-boiling-point | 35.7 °C | Legacy Database | |
| cas-canonical-smile | ClC(C)C | Legacy Database | |
| cas-density | 0.8617 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 | Legacy Database | |
| cas-inchi-key | InChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -117.2 °C | Legacy Database | |
| cas-name | 2-Chloropropane | Legacy Database | |
| wikipedia-name | Isopropyl chloride | Legacy Database | |
| Molar | Molar Refractivity | 20.988999999999994 | RDKit |
