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4-Amino-2,5-difluorobenzotrifluoride

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Name

4-Amino-2,5-difluorobenzotrifluoride

EINECS N/A
CAS No. 114973-22-7 Density 1.474 g/cm3
PSA 26.02000 LogP 3.14700
Solubility N/A Melting Point N/A
Formula C7H4F5N Boiling Point 185.3 °C at 760 mmHg
Molecular Weight 197.107 Flash Point 75.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 23/24/25
Molecular Structure Molecular Structure of 114973-22-7 (4-AMINO-2,5-DIFLUOROBENZOTRIFLUORIDE) Hazard Symbols IrritantXi
Synonyms

2,5-Difluoro-4-(trifluoromethyl)aniline;4-Amino-2,5-difluorobenzotrifluoride;

Article Data 1

4-Amino-2,5-difluorobenzotrifluoride Specification

The IUPAC name of 4-Amino-2,5-difluorobenzotrifluoride is 2,5-difluoro-4-(trifluoromethyl)aniline. With the CAS registry number 114973-22-7, it is also named as Benzenamine, 2,5-difluoro-4-(trifluoromethyl)-. In addition, its molecular formula is C7H4F5N and its molecular weight is 197.10.

The other characteristics of 4-Amino-2,5-difluorobenzotrifluoride can be summarized as: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.77; (6)ACD/BCF (pH 7.4): 62.77; (7)ACD/KOC (pH 5.5): 673.69; (8)ACD/KOC (pH 7.4): 673.69; (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: 75.5 °C; (20)Enthalpy of Vaporization: 42.16 kJ/mol; (21)Boiling Point: 185.3 °C at 760 mmHg; (22)Vapour Pressure: 0.701 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cc(c(F)cc1N)C(F)(F)F
(2)InChI: InChI=1/C7H4F5N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2
(3)InChIKey: FPEXXFHBKBTGJL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H4F5N/c8-4-2-6(13)5(9)1-3(4)7(10,11)12/h1-2H,13H2
(5)Std. InChIKey: FPEXXFHBKBTGJL-UHFFFAOYSA-N

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