Structural formula

Business number	01TA
Molecular formula	C14H10Cl2O2
Molecular weight	281.13
label	Didi Didi Ai, 4-Chloro-α-(4-chlorophenyl)phenylacetic acid, 4-Chloro-α-(4-chlorophenyl)benzeneacetic acid, Dichlorodiphenylacetic acid

• 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:83-05-6

MDL number:MFCD00004248

EINECS number:201-451-8

RTECS number:AF5475000

BRN number:1913593

PubChem number:24861829

Physical property data

1. Character:White crystal

2. Density (g/mL,25/4℃): Undetermined

3. Relative vapor density (g /mL,AIR= 1): Unsure

4. Melting point (ºC):167-169

5. Boiling point (ºC,Normal pressure): Unsure

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Uncertain

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure

12. Saturated vapor pressure (kPa,60ºC): Unsure

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

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

17. Explosion limit (%,V /V): Unsure

18. Lower explosion limit (%,V/V): Unsure

19. Solubility: Uncertain

Toxicological data

1, acute toxicity:

Rat caliber LD50: 740 mg/kg; mouse caliber LD50 ：5900 mg/kg

2, reproductive toxicity

Rat caliber TDL0: 250 mg/kg, pregnant 15-19 Queen of days; rat caliber TDL0: 350 mg/kg, mating 7 Queen of Heaven;

3, teratogenicity

Drosophila caliber3700 umol/ L; rat caliber 150 mg/L/24H

Ecological data

None yet

Molecular structure data

1. Molar refractive index ：71.55

2. Molar volume (m³/mol）：204.6

3. isotonic specific volume (90.2K):550.3

4. Surface Tension (dyne/cm):52.3

5. Polarizability（10^-24cm³):28.36

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 4.5

2. Number of hydrogen bond donors:1

3. Number of hydrogen bond acceptors:2

4. Number of rotatable chemical bonds:3

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

6. Number of heavy atoms: 18

7. Surface charge:0

8. Complexity:258

9. Isotopes Number of atoms:0

10. OK Number of atomic stereocenters:0

11. No Determine the number of atomic stereocenters:0

12. OK Number of stereocenters of chemical bonds:0

13. Uncertain number of stereocenters of chemical bonds:0

14. Total Number of price key units:1

Properties and stability

None yet

Storage method

Should be sealed, dry and protected from light.

Synthesis method

None yet

Purpose

Pesticide residue Quantitative analysis standards.

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