2-Chlorobenzaldehyde

2-Chlorobenzaldehyde Structural Formula

Structural formula

Business number 021P
Molecular formula C7H5ClO
Molecular weight 140
label

o-chlorobenzaldehyde,

o-Chlorobenzaldehyde

Numbering system

CAS number:89-98-5

MDL number:MFCD00003304

EINECS number:201-956-3

RTECS number:CU5075000

BRN number:385877

PubChem number:24854053

Physical property data

1. Properties: Colorless needle-like crystals or colorless or light yellow oily liquid with the smell of benzaldehyde

2. Density (g/mL, 25/4℃): 1.2432

3. Relative density (20℃, 4℃): 1.2483

4. Melting point (ºC): 11.6℃

5. Boiling point (ºC, normal pressure): 212.5

6. Refractive index at room temperature (n20): 1.5660

7. Refractive index: 1.5660

8. Flash point (ºC): 88

9. Refractive index at room temperature (n25): 1.5638

10. Liquid phase standard claims heat (enthalpy) (kJ· mol-1): -118.4

11. The gas phase standard claims heat (enthalpy) (kJ·mol-1): -62.7

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. 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: Can melt Soluble in alcohol, ether, acetone and benzene organic solvents, slightly soluble in water.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 37.90

2. Molar volume (cm3/mol): 113.0

3. Isotonic specific volume (90.2K ): 288.2

4. Surface tension (dyne/cm): 42.2

5. Polarizability (10-24cm3): 15.02

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: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 17.1

7.Heavy atomsNumber: 9

8. Surface charge: 0

9. Complexity: 103

10. Number of isotope atoms: 0

11. Determine the number of stereocenters of atoms: 0

12. Determine the number of stereocenters of atoms: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

.

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

Synthesis method

It is made from the o-chlorotoluene side chain through chlorine and phosphorus trichloride chlorination process, catalytic hydrolysis, and distillation.

Purpose

O-chlorobenzaldehyde is an important pharmaceutical, fuel and pesticide intermediate. It is mainly used in medicine to synthesize amoxacillin (Cloxacillin).

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28810

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