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1,3-Dichloropropan-2-Ol
CAS: 96-23-1 | C3H6Cl2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-23-1
Molecular Formula:
C3H6Cl2O
Molecular Mass:
128.99 g/mol
Names and Synonyms:
1,3-Dichloropropan-2-Ol
2-Propanol, 1,3-dichloro-
1,3-Dichloro-2-propanol
sym-Dichloroisopropyl alcohol
Glycerol α,γ-dichlorohydrin
sym-Glycerol dichlorohydrin
α,γ-Dichlorohydrin
1,3-Dichloro-2-hydroxypropane
Glycerol 1,3-dichlorohydrin
α-Dichlorohydrin
1,3-Dichloroisopropanol
Propylene dichlorohydrin
1,3-Dichloroisopropyl alcohol
1,3-Dichlorohydrin
2-Chloro-1-(chloromethyl)ethanol
Bis(chloromethyl)methanol
NSC 70982
Identifiers:
SMILES:
OC(CCl)CCl
InChI:
InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2
Key Properties
Boiling Point
174.3 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-4 °C
CAS Common Chemistry
Density
1.35 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 | 128.99 g/mol | CAS Common Chemistry |
| 128.986 g/mol | RDKit | |
| 127.979570172 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.3506 g/cm3 @ Temp: 17 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,3-Dichloropropan-2-ol | CAS Common Chemistry |
| Boiling Point | 174.3 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCC(O)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DEWLEGDTCGBNGU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4 °C | CAS Common Chemistry |
| Name | 1,3-Dichloro-2-propanol | CAS Common Chemistry |
| 1,3-Dichloropropan-2-ol | 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 | RDKit |
