-
Name
4-AMINO-2,6-DIFLUOROBENZOTRIFLUORIDE
- EINECS
- CAS No. 123950-44-7
- Density 1.474 g/cm3
- Solubility
- Melting Point 66 °C
- Formula C7H4F5N
- Boiling Point 210.2 °C at 760 mmHg
- Molecular Weight 197.107
- Flash Point 88.9 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 23/24/25
-
Molecular Structure
-
Hazard Symbols
T
- Synonyms 2,6-Difluoro-4-aminobenzotrifluoride;3,5-Difluoro-4-trifluoromethylaniline;4-Amino-2,6-difluorobenzotrifluoride;
- PSA 26.02000
- LogP 3.14700
Benzenamine,3,5-difluoro-4-(trifluoromethyl)- Specification
The Benzenamine,3,5-difluoro-4-(trifluoromethyl)-, with the CAS registry number 123950-44-7, is also known as 4-Amino-2,6-difluorobenzotrifluoride. This chemical's molecular formula is C7H4F5N and molecular weight is 197.11. What's more, its systematic name is 3,5-difluoro-4-(trifluoromethyl)aniline.
Physical properties of Benzenamine,3,5-difluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.443; (8)Molar Refractivity: 35.45 cm3; (9)Molar Volume: 133.6 cm3; (10)Polarizability: 14.05×10-24cm3; (11)Surface Tension: 26.9 dyne/cm; (12)Density: 1.474 g/cm3; (13)Flash Point: 88.9 °C; (14)Enthalpy of Vaporization: 44.65 kJ/mol; (15)Boiling Point: 210.2 °C at 760 mmHg; (16)Vapour Pressure: 0.195 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)cc(N)c1)C(F)(F)F
(2)InChI: InChI=1S/C7H4F5N/c8-4-1-3(13)2-5(9)6(4)7(10,11)12/h1-2H,13H2
(3)InChIKey: YJWFKYOOAXZKQA-UHFFFAOYSA-N
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