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Molecule
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 Mass
- 78.54 g/mol
Identifiers
CAS Registry Number
75-29-6
SMILES
CC(C)Cl
InChI Key
ULYZAYCEDJDHCC-UHFFFAOYSA-N
InChI
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
Names and Synonyms
- Isopropyl Chloride Common Name
- Propane, 2-chloro- Synonym
- 2-Chloropropane Synonym
- Isoprid Synonym
- Isopropyl chloride Synonym
- Narcosop Synonym
- 2-Propyl chloride Synonym
- sec-Propyl chloride Synonym
- Chlorodimethylmethane Synonym
- R 280da Synonym
- LBL 2 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 78.54 g/mol | CAS Common Chemistry |
| 78.542 g/mol | RDKit | |
| 78.539 g/mol | chempirical lib | |
| Density | 0.86 g/cm³ | CAS Common Chemistry |
| 0.8617 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropyl_chloride | CAS Common Chemistry |
| Boiling Point | 35.7 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -117.2 °C | CAS Common Chemistry |
| Name | 2-Chloropropane | CAS Common Chemistry |
| Isopropyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 4 | 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 | 1.6336 | RDKit |
| Molar Refractivity | 20.988999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 78.023627904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 78.54 g/mol; density = 0.860 g/mL. Edit any field — others recompute live.
