1-bromo-3-phenylpropane
Structural formula
| Business number | 070V |
|---|---|
| Molecular formula | C9H11Br |
| Molecular weight | 199.09 |
| label |
(3-bromopropyl)benzene, 3-phenylpropyl bromide, 3-Phenylpropyl bromide, (3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide, C6H5(CH2)3Br |
Numbering system
CAS number:637-59-2
MDL number:MFCD00000257
EINECS number:211-294-7
RTECS number:None
BRN number:2205527
PubChem number:24887402
Physical property data
1. Characteristics: colorless liquid.
2. Density (g/mL,25/4 ℃)：1.310
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC ): Undetermined
5. Boiling point (ºC,Normal pressure):220
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index:1.5450
8. Flash point (ºC): 101
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient (water): undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Not determined.
Toxicological data
None yet
Ecological data
Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 48.16
2. Molar Volume (m3/mol）：151.9
3. isotonic ratio (90.2K)：375.7
4. Surface Tension (dyne/cm):37.4
5. Polarizability（10-24cm3):19.09
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 74.8
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Keep away from oxides.
Storage method
This product should be kept sealed.
Synthesis method
None yet
Purpose
For organic synthesis.