Benzenamine,2-chloro-5-[(trifluoromethyl)sulfonyl]- supplier

Name
2-CHLORO-5-(TRIFLUOROMETHYLSULFONYL)ANILINE
EINECS
CAS No. 779-87-3
Article Data2
CAS DataBase
Density 1.604 g/cm³
Solubility
Melting Point 95-96 °C
Formula C₇H₅ClF₃NO₂S
Boiling Point 340 °C at 760 mmHg
Molecular Weight 259.636
Flash Point 159.4 °C
Transport Information
Appearance
Safety 22-36/37/39
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
Synonyms Aniline,2-chloro-5-[(trifluoromethyl)sulfonyl]- (6CI,8CI);2-Chloro-5-(trifluoromethylsulfonyl)aniline;
PSA 68.54000
LogP 3.87770

Benzenamine,2-chloro-5-[(trifluoromethyl)sulfonyl]- 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

Product Name

2-CHLORO-5-(TRIFLUOROMETHYLSULFONYL)ANILINE

Benzenamine,2-chloro-5-[(trifluoromethyl)sulfonyl]- Specification

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