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Molecule
(±)-2,3-Dichloro-1-Propanol
CAS: 616-23-9 · C3H6Cl2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 616-23-9
- Molecular Formula
- C3H6Cl2O
- Molecular Mass
- 128.99 g/mol
Identifiers
CAS Registry Number
616-23-9
SMILES
OCC(Cl)CCl
InChI Key
ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2
Names and Synonyms
- (±)-2,3-Dichloro-1-Propanol Synonym
- 1-Propanol, 2,3-dichloro- Synonym
- 2,3-Dichloro-1-propanol Synonym
- Glycerol α,β-dichlorohydrin Synonym
- α,β-Dichlorohydrin Synonym
- β-Dichlorohydrin Synonym
- Glycerol 1,2-dichlorohydrin Synonym
- 2,3-Dichloropropyl alcohol Synonym
- β,γ-Dichlorohydrin Synonym
- (±)-2,3-Dichloro-1-propanol Synonym
- (RS)-2,3-Dichloro-1-propanol Synonym
- 2,3-Dichlorohydrin Synonym
- 1,2-Dichlorohydrin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 128.99 g/mol | CAS Common Chemistry |
| 128.986 g/mol | RDKit | |
| 128.98 g/mol | chempirical lib | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.3607 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 183-185 °C | CAS Common Chemistry |
| Canonical SMILES | ClCC(Cl)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZXCYIJGIGSDJQQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (±)-2,3-Dichloro-1-propanol | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.8249 | RDKit |
| Molar Refractivity | 27.446799999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 127.979570172 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 128.99 g/mol; density = 1.360 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6Cl2O.
