1-Bromodecane 1-Bromodecane

Structural formula

• 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:112-29-8

MDL number:MFCD00000221

EINECS number:203-955-3

RTECS number:HD6850000

BRN number:1735227

PubChem number:24848745

Physical property data

1. Properties: colorless oily liquid. Sensitive to light.

2. Density (g/mL, 25/4℃): 1.0656

3. Relative density (20℃, 4℃): 1.0702

4 . Melting point (ºC): -29.2

5. Boiling point (ºC, normal pressure): 239.4

6. Refractive index at room temperature (n²⁵): 1.4538

7. Refractive index: 1.4550

8. Flash point (ºC): 94

9. Refractive index at room temperature (n²⁰

sup>): 1.4557

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 Determined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

17 . Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility: soluble in ethanol, Ether and chloroform are insoluble in water.

Toxicological data

1. Acute toxicity: mice intraperitoneal LD5O: 4070mg/kg

Mammalian inhalation LC5O: 4200mg/m3

Ecological data

No harm to water bodies.

Molecular structure data

1. Molar refractive index: 56.10

2. Molar volume (cm³/mol): 206.7

3. Isotonic specific volume (90.2K): 482.1

4. Surface tension (dyne/cm): 29.5

5. Polarizability (10^-24cm³): 22.24

Compute chemical data

1. Hydrophobic parameter calculation��Reference value (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms :11

8. Surface charge: 0

9. Complexity: 61.9

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

Avoid contact with oxides and alkali.

Storage method

This product should be sealed and stored in a cool, dark place.

Synthesis method

None yet

Purpose

Used as intermediates in organic synthesis.