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Molecule
(Bromomethyl)Cyclopropane
CAS: 7051-34-5 · C4H7Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7051-34-5
- Molecular Formula
- C4H7Br
- Molecular Mass
- 135.00 g/mol
Identifiers
CAS Registry Number
7051-34-5
SMILES
BrCC1CC1
InChI Key
AEILLAXRDHDKDY-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2
Names and Synonyms
- (Bromomethyl)Cyclopropane Common Name
- Cyclopropane, (bromomethyl)- Synonym
- (Bromomethyl)cyclopropane Synonym
- Cyclopropylmethyl bromide Synonym
- Cyclopropanemethyl bromide Synonym
- Cyclopropylcarbinyl bromide Synonym
- 1-(Bromomethyl)cyclopropane Synonym
- (Bromo)(cyclopropyl)methane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.00 g/mol | CAS Common Chemistry |
| 135.004 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.433 g/cm3 @ 26.5 °C | CAS Common Chemistry | |
| Canonical SMILES | BrCC1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AEILLAXRDHDKDY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87-90 °C | CAS Common Chemistry |
| Name | (Bromomethyl)cyclopropane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.7913000000000001 | RDKit |
| 1.7913 | RDKit | |
| Molar Refractivity | 26.51799999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 133.973112324 g/mol | RDKit |
| Boiling Point | 101.5-102.0 °C @ 627 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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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MW = 135.00 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7Br.
