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779-87-3

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Basic Information
CAS No.: 779-87-3
Name: 2-CHLORO-5-(TRIFLUOROMETHYLSULFONYL)ANILINE
Article Data: 2
Molecular Structure:
Molecular Structure of 779-87-3 (2-CHLORO-5-(TRIFLUOROMETHYLSULFONYL)ANILINE)
Formula: C7H5ClF3NO2S
Molecular Weight: 259.636
Synonyms: Aniline,2-chloro-5-[(trifluoromethyl)sulfonyl]- (6CI,8CI);2-Chloro-5-(trifluoromethylsulfonyl)aniline;
Density: 1.604 g/cm3
Melting Point: 95-96 °C
Boiling Point: 340 °C at 760 mmHg
Flash Point: 159.4 °C
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22
Safety: 22-36/37/39
PSA: 68.54000
LogP: 3.87770
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Specification

The Benzenamine,2-chloro-5-[(trifluoromethyl)sulfonyl]-, with the CAS registry number 779-87-3, is also known as 2-Chloro-5-(trifluoromethane)sulfonylaniline. This chemical's molecular formula is C7H5ClF3NO2S and molecular weight is 259.63. What's more, its systematic name is called 2-Chloro-5-[(trifluoromethyl)sulfonyl]aniline.

Physical properties about Benzenamine,2-chloro-5-[(trifluoromethyl)sulfonyl]- are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.9; (6)ACD/BCF (pH 7.4): 23.9; (7)ACD/KOC (pH 5.5): 337.47; (8)ACD/KOC (pH 7.4): 337.47; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 49 cm3; (15)Molar Volume: 161.8 cm3; (16)Surface Tension: 42 dyne/cm; (17)Density: 1.604 g/cm3; (18)Flash Point: 159.4 °C; (19)Enthalpy of Vaporization: 58.35 kJ/mol; (20)Boiling Point: 340 °C at 760 mmHg; (21)Vapour Pressure: 8.87E-05 mmHg at 25 °C; (22)Melting Point: 95-96 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. What's more, it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And you can not breathe the gas.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1N)S(=O)(=O)C(F)(F)F
(2) InChI: InChI=1/C7H5ClF3NO2S/c8-5-2-1-4(3-6(5)12)15(13,14)7(9,10)11/h1-3H,12H2
(3) InChIKey: LFJIQKFDVYCHCK-UHFFFAOYAO