1,1-Dichloroacetone

Structural formula

• 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:513-88-2

MDL number:MFCD00009677

EINECS number:208-175-7

RTECS number:UC1428000

BRN number:1740214

PubChem ID:None

Physical property data

1. Characteristics: Undetermined

2. Density (g/ cm³, 25/4℃): 1.3267

3. Relative steam Density (g/cm³, air=1): Undetermined

4. Refractive index at room temperature (n²⁰): 1.4472

5. Boiling point (ºC, normal pressure): 118

6. Refractive index at normal temperature (n²⁵): 1.4430

7. Refractive index : 1.446

8. Flash point (ºF): 99-100

9. Specific rotation (º): Undetermined

10. Autoignition point or Ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 60ºC): Not determined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined Determined

16. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

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

19. Solubility: Undetermined

Toxicological data

1. Acute toxicity: Mouse oral LD50: 250mg/kg, no details except lethal dose;

Rat oral TDLo: 3600 mg/kg/90D-I, liver weight Changes in serum components (such as tea polyphenols, bilirubin, cholesterol) biochemistry – enzyme inhibition, induction or change of blood or tissue levels – transaminases;

2. Mutagenicity data: mutations in the TEST system of microbial organisms : Bacteria – Salmonella Typhimurium: 1umol/plate;

Mutation Test System – Not other specifiedTEST systems: Bacteria – E. coli: 30 mg/L.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1. Molar refractive index: 25.63

2. Molar volume (cm³/mol): 98.3

3. Isotonic specific volume (90.2K ): 230.8

4. Surface tension��dyne/cm): 30.3

5. Polarizability (10^-24cm³): 10.16

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.3

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: 3

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 59.8

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

None yet