4-(Trifluoromethylthio)aniline

4-(trifluoromethylthio)aniline structural formula

4-(trifluoromethylthio)aniline structural formula

Structural formula

Business number 04J1
Molecular formula C7H6F3NS
Molecular weight 193.19
label

4-Trifluoromethylthioaniline,

p-trifluoromethylthioaniline,

4-Aminophenyl trifluoromethyl sulfide,

4-Trifluoromethylsulfanyl-phenylamine,

4-Aminophenyl trifluoromethyl sulphi,

CF3SC6H4NH2,

Aromatic amino compounds

Numbering system

CAS number:372-16-7

MDL number:MFCD00040926

EINECS number:206-744-4

RTECS number:None

BRN number:2208859

PubChem number:24870634

Physical property data

一 , physical property data


Traits :Not available


Density (g/mL,25/4): 1.351


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


Melting point (ºC): Not available


Boiling point (ºC, normal pressure): 102-103


Boiling point (ºC, 5.2kPa): Not available


Refraction Rate: 1.528


Flash Point (ºC): Not available


Optical rotation (º): Not available


Spontaneous combustion Point or ignition temperature (ºC): Not available


Steam Pressure (kPa, 25ºC): Not available


saturated Vapor pressure (kPa, 60ºC): Not available


Burn Heat (KJ/mol):Not available


Critical Temperature (ºC): Not available


Critical Pressure (KPa): Not available


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


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


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


Dissolve Properties: Not available

Toxicological data

2. Toxicological data :


Acute Toxicity:Not available .

Ecological data

Three , Ecological data:


1 , Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.

Molecular structure data

1. Molar refractive index: 43.37


2. Molar Volume (m3/mol):140.0


3. isotonic specific volume (90.2K):347.7


4. Surface Tension (dyne/cm): 38.0


5. Polarizability10-24cm3):17.19

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 51.3

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 140

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

Purpose

None yet

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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