1-bromodecane 1-bromodecane
structural formula
| business number | 035d |
|---|---|
| molecular formula | c10h21br |
| molecular weight | 221.18 |
| label |
decane bromide, bromodecane, n-decane bromide, 1-bromodecane, bromododecane, decylbromide, linear compound |
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.
