4-fluoro-3-nitrotrifluorotoluene structural formula

4-fluoro-3-nitrotrifluorotoluene structural formula

Structural formula

Business number 04GZ
Molecular formula C7H3F4NO2
Molecular weight 209.10







aromatic compounds

Numbering system

CAS number:367-86-2

MDL number:MFCD00007059

EINECS number:206-702-5

RTECS number:None

BRN number:1880508

PubChem number:24852829

Physical property data

1. Physical property data

Characteristics: yellow transparent liquid.

Density (g/mL, 25/4℃): 1.494

Relative vapor density (g/mL, air=1): Not available

Melting point (ºC): Not available

Boiling point (ºC, normal pressure): 92

Boiling point (ºC, 5.2kPa): Not available

Refractive index: 1.4620

Flash point (ºC): 33

Specific optical rotation (º): Not available

Autoignition point or ignition temperature (ºC): Not available

Vapor pressure (kPa, 25ºC): Not available

Saturated vapor pressure (kPa, 60ºC): Not available

Heat of combustion (KJ/mol): Not available

Critical temperature (ºC): Not available

Critical pressure (KPa): Not available Use

Log value of oil-water (octanol/water) partition coefficient: Not available

Explosion upper limit (%, V/V): Not available

Lower explosion limit (%, V/V): Not available

Solubility: Not available

Toxicological data

2. Toxicological data:

Acute toxicity:

Main irritant effects:

On the skin: Irritating to the skin and mucous membranes.

On the eyes: irritating effects.

Sensitization: No known sensitizing effects.

Ecological data

3. Ecological data:

General notes

Water hazard level 1 (German regulations) (self-assessment through list) This substance has harmful effects on water Slightly harmful.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 37.77

2. Molar volume (cm3/mol): 138.9

3. Isotonic specific volume (90.2K ): 327.0

4. Surface tension (dyne/cm): 30.6

5.�� Polarizability (10-24cm3): 14.97

Compute chemical data

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

2. Number of hydrogen bond donors: 0

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 45.8

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 225

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 yet

Storage method

None yet

Synthesis method

None yet


None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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