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Molecule
2-(Bromomethyl)Oxirane
CAS: 3132-64-7 · C3H5BrO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3132-64-7
- Molecular Formula
- C3H5BrO
- Molecular Mass
- 136.98 g/mol
Identifiers
CAS Registry Number
3132-64-7
SMILES
BrCC1CO1
InChI Key
GKIPXFAANLTWBM-UHFFFAOYSA-N
InChI
InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2
Names and Synonyms
- 2-(Bromomethyl)Oxirane Synonym
- Oxirane, 2-(bromomethyl)- Synonym
- Epibromohydrin Synonym
- Propane, 1-bromo-2,3-epoxy- Synonym
- Oxirane, (bromomethyl)- Synonym
- 2-(Bromomethyl)oxirane Synonym
- (Bromomethyl)ethylene oxide Synonym
- 1-Bromo-2,3-epoxypropane Synonym
- Epibromhydrin Synonym
- 1,2-Epoxy-3-bromopropane Synonym
- Bromohydrin Synonym
- 3-Bromo-1,2-epoxypropane Synonym
- 2,3-Epoxypropyl bromide Synonym
- (Bromomethyl)oxirane Synonym
- (±)-3-Bromo-1,2-epoxypropane Synonym
- (±)-(Bromomethyl)oxirane Synonym
- (±)-Epibromohydrin Synonym
- NSC 630 Synonym
- Oxiranylmethyl bromide Synonym
- Epoxy bromopropane Synonym
- Glycidyl bromide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | BrCC1OC1 | CAS Common Chemistry |
| Density | 1.601 g/cm3 | CAS Common Chemistry |
| 1.60 g/cm³ | CAS Common Chemistry | |
| Molecular Mass | 136.98 g/mol | CAS Common Chemistry |
| 136.976 g/mol | RDKit | |
| Boiling Point | 134.6 °C | CAS Common Chemistry |
| InChI | InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GKIPXFAANLTWBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -40 °C | CAS Common Chemistry |
| Name | 2-(Bromomethyl)oxirane | 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 | 0.7801 | RDKit |
| Molar Refractivity | 23.533999999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 135.95237688 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
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MW = 136.98 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H5BrO.
