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Molecule
(-)-Epichlorohydrin
CAS: 51594-55-9 · C3H5ClO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51594-55-9
- Molecular Formula
- C3H5ClO
- Molecular Mass
- 92.53 g/mol
Identifiers
CAS Registry Number
51594-55-9
SMILES
ClC[C@H]1CO1
InChI Key
BRLQWZUYTZBJKN-VKHMYHEASA-N
InChI
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1
Names and Synonyms
- (-)-Epichlorohydrin Common Name
- Oxirane, 2-(chloromethyl)-, (2R)- Synonym
- Oxirane, (chloromethyl)-, (R)- Synonym
- Oxirane, (chloromethyl)-, (2R)- Synonym
- (2R)-2-(Chloromethyl)oxirane Synonym
- (-)-Epichlorohydrin Synonym
- (R)-Epichlorohydrin Synonym
- (R)-1-Chloro-2,3-epoxypropane Synonym
- (R)-(Chloromethyl)oxirane Synonym
- (R)-(-)-Epichlorohydrin Synonym
- (R)-Epichlorohydrin Synonym
- (R)-(-)-Epichlorohydrin Synonym
- (R)-2-(Chloromethyl)oxirane Synonym
- (-)-2-(Chloromethyl)oxirane Synonym
- (R)-3-Chloro-1,2-epoxypropane Synonym
- (R)-(-)-2-(Chloromethyl)oxirane Synonym
- (2R)-2-(Chloromethyl)oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 92.53 g/mol | CAS Common Chemistry |
| 92.525 g/mol | RDKit | |
| 92.522 g/mol | chempirical lib | |
| Canonical SMILES | ClCC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BRLQWZUYTZBJKN-VKHMYHEASA-N | CAS Common Chemistry |
| Name | (-)-Epichlorohydrin | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.624 | RDKit |
| Molar Refractivity | 20.459999999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 92.00289246 g/mol | RDKit |
| Boiling Point | 118 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 92.53 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5ClO.
