Bromodichloromethane

May 29, 2024by admin0

Bromedichloromethane Structural Formula

Structural formula

Business number	01JC
Molecular formula	CHBrCl2
Molecular weight	163.83
label	Bromodichloromethane, Dichloromethane, Bromodichloromethane, Bromodichloromethane, Bromodichloromethane, Dichlorobromomethane, Monobromodichloromethane, Halogenated hydrocarbon solvents, aliphatic compounds

Numbering system

CAS number:75-27-4

MDL number:MFCD00000824

EINECS number:200-856-7

RTECS number:PA5310000

BRN number:1697005

PubChem number:24863010

Physical property data

1. Properties: colorless liquid.

2. Relative density (g/mL, 20/4℃): 1.980

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): -55

5. Boiling point (ºC, normal pressure): 87

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index (20ºC): 1.4967

8. Gas phase standard claims heat (enthalpy) (kJ·mol^-1): -48.8

9. Gas phase standard entropy (J·mol^-1·K^-1): 316.30

10. Gas phase standard generation Free energy (kJ·mol^-1): -32.8

11. Gas phase standard hot melt (J·mol^-1·K^-1): 67.62

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-water (octanol/water) partition coefficient Logarithmic value of p>

19. Solubility: Soluble in ethanol, ether, acetone, benzene, chloroform, slightly soluble in water.

Toxicological data

Harmful if taken orally. Irritating to eyes, respiratory system and skin. There is the possibility of irreversible damage to the body. The oral LD50 of male and female mice is 450mg/kg and 900mg/kg.

Ecological data

None

Molecular structure data

1. Molar refractive index: 24.07

2. Molar volume (cm³/mol): 81.3

3. Isotonic specific volume (90.2K): 198.3

4. Surface tension (dyne/cm): 35.3

5. Polarizability (10^-24cm³): 9.54

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.4

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 4

8. Surface charge: 0

9. Complexity: 13.5

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

There is the possibility of irreversible damage to the body. Protective clothing and gloves should be worn when using.

Storage method

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

Synthesis method

None

Purpose

Used as solvent and organic synthesis intermediate.