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5-Amino-2,4-difluorobenzotrifluoride

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Name

5-Amino-2,4-difluorobenzotrifluoride

EINECS N/A
CAS No. 261944-56-3 Density 1.475 g/cm3
PSA 26.02000 LogP 3.14700
Solubility N/A Melting Point N/A
Formula C7H4F5N Boiling Point 180.557 °C at 760 mmHg
Molecular Weight 197.107 Flash Point 72.83 °C
Transport Information UN 2810 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 261944-56-3 (5-Amino-2,4-difluorobenzotrifluoride) Hazard Symbols ToxicT
Synonyms

2,4-Difluoro-5-trifluoromethylaniline;

 

5-Amino-2,4-difluorobenzotrifluoride Specification

This chemical is called Benzenamine, 2,4-difluoro-5-(trifluoromethyl)-, and its systematic name is 2,4-difluoro-5-(trifluoromethyl)aniline. With the molecular formula of C7H4F5N, its molecular weight is 197.11. The CAS registry number of this chemical is 261944-56-3.

Other characteristics of the Benzenamine, 2,4-difluoro-5-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.11; (4)ACD/LogD (pH 7.4): 3.11; (5)ACD/BCF (pH 5.5): 137.02; (6)ACD/BCF (pH 7.4): 137.06; (7)ACD/KOC (pH 5.5): 1177.79; (8)ACD/KOC (pH 7.4): 1178.19; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 35.45 cm3; (15)Molar Volume: 133.6 cm3; (16)Polarizability: 14.05×10-24cm3; (17)Surface Tension: 26.9 dyne/cm; (18)Density: 1.474 g/cm3; (19)Flash Point: 72.8 °C; (20)Enthalpy of Vaporization: 41.68 kJ/mol; (21)Boiling Point: 180.6 °C at 760 mmHg; (22)Vapour Pressure: 0.89 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contacting with skin and if swallowed. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(cc(N)c(F)c1)C(F)(F)F
2.InChI: InChI=1/C7H4F5N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
3.InChIKey: FFQALBCXGPYQGT-UHFFFAOYAK

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