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:75-81-0

MDL number:MFCD00053228

EINECS number:200-904-7

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

Toxicological data

1, acute toxicity

大Mouse caliberLD50:205mg/kg

Large Rat InhalationLC50: 83 ppm/6H

Rabbit skinLD50:500mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 36.44

2. Molar volume (m³/mol）：110.7

3. isotonic specific volume (90.2K):287.9

4. Surface Tension (dyne/cm):45.7

5. Polarizability（10^-24cm³):14.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 6

8. Surface charge: 0

9. Complexity: 44.8

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

None

Storage method

None

Synthesis method

None

Purpose

None

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