BDMAEE

Structural formula

Business number	03D5
Molecular formula	C7H5F3N2O2
Molecular weight	206.12
label	2-amino-5-nitrotrifluorotoluene, 4-nitro-2-trifluoromethylaniline, 2-amino-5-nitrotrifluoromethylbenzene, 2-amino-5-nitrotrifluoromethyl, 2-Amino-5-nitrobenzotrifluoride, 2-Amino-5-nitro-trifluorobenzene, 2-trifluoromethyl-4-nitroaniline, 4-Nitro-a,a,a-trifluoro-o-toluidine, a,a,a-trifluoro-4-nitro-o-toluidine, 5-Aminobenzotrifluoride, 4-nitro-2-(trifluoromethyl)aniline, Heterocyclic compounds

• 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:121-01-7

MDL number:MFCD00007365

EINECS number:204-443-2

RTECS number:None

BRN number:2121347

PubChem number:24851771

Physical property data

1. Melting point (℃): 90-93

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 42.01

2. Molar volume (cm³/mol): 137.0

3. Isotonic specific volume (90.2K): 345.7

4. Surface tension (dyne/cm): 40.5

5. Polarizability (10-24cm3): 16.65

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 71.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 226

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