3-Amino-4-chlorobenzotrifluoride 3-Amino-4-chlorobenzotrifluoride

Structural formula

Business number	03DP
Molecular formula	C7H5ClF3N
Molecular weight	195
label	None yet

• 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:121-50-6

MDL number:MFCD00007673

EINECS number:204-475-7

RTECS number:XU5775000

BRN number:879910

PubChem number:24846070

Physical property data

1. Character:Colorless transparent liquid

2. Relative density:1.428

3. Refractive index: 1.498-1.5

4. Melting point (℃):75

5. Boiling point (ºC,9 mmHg):82~83

6. Water-soluble ( g/L,60 ºC):11

Toxicological data

1, acute toxicity: mice through peritoneal cavity LD50: 100mg/kg

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 40.36

2. Molar volume（m³/ mol）：137.1

3. isotonic ratio（90.2K）：326.1

4. Surface Tension（dyne/cm）：31.9

5. Dielectric constant:

6. Molar refractive index:40.36

2. Molar volume（m³/ mol）：137.1

3. isotonic ratio（90.2K）：326.1

4. Surface Tension（dyne/cm）：31.9

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 16.00

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 159

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

1. Basic properties

This product is a colorless and transparent liquid, which is irritating.

Storage method

None

Synthesis method

None

Purpose

None

FAMILY: 宋体; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Dipole moment（10^-24 cm³）：

7. Polarizability: 16.00

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 159

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

1. Basic properties

This product is a colorless and transparent liquid, which is irritating.

Storage method

None

Synthesis method

None

Purpose

None