CAS No.473-27-8,4-(TRIFLUOROMETHYLSULFONYL)ANILINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	473-27-8
Name:	4-(TRIFLUOROMETHYLSULFONYL)ANILINE

Formula:	C₇H₆F₃NO₂S
Molecular Weight:	225.191
Synonyms:	Aniline,p-[(trifluoromethyl)sulfonyl]- (6CI,7CI,8CI);4-(Trifluoromethanesulfonyl)aniline;4-(Trifluoromethylsulfonyl)aniline;4-Aminophenyl trifluoromethyl sulfone;4-Trifluoromethylsulfonylphenylamine;p-[(Trifluoromethyl)sulfonyl]aniline;
Density:	1.502 g/cm³
Melting Point:	96 °C(lit.)
Boiling Point:	317.8 °C at 760 mmHg
Flash Point:	146 °C
Hazard Symbols:	Xi,T
Risk Codes:	36/37/38
Safety:	26-36
PSA:	68.54000
LogP:	3.22430

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Specification

The CAS register number of Benzenamine,4-[(trifluoromethyl)sulfonyl]- is 473-27-8. It also can be called as 4-Aminophenyl trifluoromethyl sulfone and the IUPAC name about this chemical is 4-(trifluoromethylsulfonyl)aniline. The molecular formula about this chemical is C₇H₆F₃NO₂S and the molecular weight is 225.19. It belongs to the following product categories which include Organic Building Blocks; Sulfones; Sulfur Compounds and so on.

Physical properties about Benzenamine,4-[(trifluoromethyl)sulfonyl]- are: (1)ACD/LogP: 2.09; (2)ACD/LogD (pH 5.5): 2.09; (3)ACD/LogD (pH 7.4): 2.09; (4)ACD/BCF (pH 5.5): 22.79; (5)ACD/BCF (pH 7.4): 22.79; (6)ACD/KOC (pH 5.5): 326.16; (7)ACD/KOC (pH 7.4): 326.16; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 45.76 Å²; (12)Index of Refraction: 1.501; (13)Molar Refractivity: 44.18 cm³; (14)Molar Volume: 149.8 cm³; (15)Polarizability: 17.51x10^-24cm³; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.502 g/cm³; (18)Flash Point: 146 °C; (19)Enthalpy of Vaporization: 55.93 kJ/mol; (20)Boiling Point: 317.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000376 mmHg at 25 °C.

Uses of Benzenamine,4-[(trifluoromethyl)sulfonyl]-: it can be used to produce 4-amino-2-(diethylamino)-5-{2-(diethylamino)-5-[4-(trifluoromethylsulfonyl)phenylazo]thiazol-4-yl}thiazole with 4-amino-2-diethylamino-5-(2-diethylamino-4-thiazolyl)thiazole. This reaction will need reagent of NaNO₂, conc. H₂SO₄ and solvent of dimethylformamide. This reaction needs two steps. The reaction time is 3 hours with reaction temperature of 0 °C and 20 °C. The yield is about 30%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause inflammation to the skin or other mucous membranes. This chemical that at low levels cause damage to health. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(N)cc1)C(F)(F)F
(2)InChI: InChI=1/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
(3)InChIKey: GNVFCXUZQGCXPB-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
(5)Std. InChIKey: GNVFCXUZQGCXPB-UHFFFAOYSA-N