Polyether_Polyether Polyol Knowledge 2-Chlorobenzoic acid

2-Chlorobenzoic acid

2-Chlorobenzoic acid structural formula

Structural formula

Business number 03AB
Molecular formula C7H5ClO2
Molecular weight 156
label

Pesticide intermediates; aliphatic carboxylic acids and their derivatives

Numbering system

CAS number:118-91-2

MDL number:MFCD00002412

EINECS number:204-285-4

RTECS number:DG4976000

BRN number:907340

PubChem number:24848210

Physical property data

1. Properties: white coarse powder, easy to sublimate.

2. Density (g/mL, 25℃): 1.544

3. Relative density (20℃, 4℃): 1.544

4. Melting point (ºC): 142

5. Boiling point (ºC, normal pressure): 285

6. Relative density (25℃, 4℃): 1.5355

7. Gas phase standard claims heat (enthalpy) (kJ·mol-1): -325.0

8. Flash point (ºC): 173

9 . Crystal phase standard claims heat (enthalpy) (kJ·mol-1): -404.5

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/ mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water ( Log value of the partition coefficient (octanol/water): Undetermined

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

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

19. Solubility: Insoluble in water, soluble in methanol, absolute ethanol, and ether.

Toxicological data

1. Acute toxicity: Rat oral LD50: 6460mg/kg

Rabbit oral LD50: >500mg/kg

Ecological data

This substance is harmful to the environment and can cause pollution to water bodies and the atmosphere. Organic acids can easily form acid rain during atmospheric chemistry and atmospheric physical changes. Therefore, when the pH value drops below 5, it will cause serious harm to animals and plants, and the reproduction and development of fish will be seriously affected. Metals in the soil and water sediments in the watershed can be dissolved into the water and poison the fish. Acidification of water bodies will also lead to changes in the composition and structure of aquatic organisms. Acid-resistant algae and fungi will increase, while root plants, bacteria and vertebrates will decrease, and the decomposition rate of organic matter will decrease. Acidification will seriously lead to the reduction or death of fish in lakes and rivers.

Molecular structure data

1. Molar refractive index: 38.07

2. Molar volume (cm3/mol): 113.9

3. Isotonic specific volume (90.2K ): 305.2

4. Surface tension (dyne/cm): 51.5

5.   Polarizability (10-24cm3): 15.09

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.1

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 37.3

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 136

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 Quantity: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants and strong alkali.

2.This product is toxic. For its toxicity and protection, please refer to benzoic acid. Mice were injected subcutaneously with LD501200mg/kg.
 

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidants, alkali, fire sources, and heat sources.

Packaged in sack-lined plastic bags. 50kg per bag. Store and transport according to regulations on toxic chemicals.

Synthesis method

1. Use phthalic anhydride as raw material to carry out amidation and degradation reactions with sodium hydroxide and ammonia to prepare anthranilic acid, then diazotize with sodium nitrite and hydrochloric acid, and then replace with cuprous chloride and hydrochloric acid The crude o-chlorobenzoic acid is obtained, and the finished product is obtained after refining.

3. Chlorination of o-chlorotoluene Produced by hydrolysis.

2. The preparation methods are as follows Two kinds.
O-chlorotoluene chlorination hydrolysis method
O-chlorotoluene is placed in a reaction kettle, illuminated with ultraviolet light, the reaction temperature is 100°C, chlorine gas is introduced to carry out the chlorination reaction, and the depth of the chlorination reaction is deepened to generate α , α, α, 2-tetrachlorotoluene, or using o-chlorotoluene as raw material and azobisisobutyronitrile as catalyst for chlorination, α, α, α, 2-tetrachlorotoluene can also be obtained, and then the above The product is moved into the hydrolysis kettle, and a little acid is added to hydrolyze it to produce o-chlorobenzoyl chloride. If the hydrolysis depth is large, 2-chlorobenzoic acid can be obtained.
Anthranilic acid diazotization method
Using anthranilic acid as raw material, adding hydrochloric acid and sodium nitrite for diazotization, and then adding Cu2 to the diazo liquid A solution of Cl2 dissolved in hydrochloric acid is added with stirring, and post-processed to obtain o-chlorobenzoic acid.

Purpose

As an intermediate for dyes and pesticides, it is used as a raw material for making chlorpromazine and anti-inflammatory spirit in medicine. It is also used as a preservative for glues and paints and as a raw material for organic synthesis.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/18616

author:

Previous article
Next article
Contact Us

Contact us

+86 - 152 2121 6908

Online consultation: QQ交谈

E-mail: sales@newtopchem.com

Working hours: Monday to Friday, 9:00-17:30, closed on holidays
Follow wechat
Scan wechat and follow us

Scan wechat and follow us

Follow Weibo
Back to top
Home
E-mail
Products
Search