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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

Resource:allhdi.com