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654-62-6

654-62-6 Structure

654-62-6 Structure
IdentificationMore
[Name]

4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
[CAS]

654-62-6
[Synonyms]

2-AMINO-4-TRIFLUOROMETHYL-1,5-BENZENDISULFONAMIDE
2-AMINO-4-TRIFLUOROMETHYL-1,5-BENZENEDISULFONAMIDE
2-AMINO-4-TRIFLUOROMETHYL-1,5-BENZENEDISULPHONAMIDE
4-AMINO-6-(TRIFLUOROMETHYL)-1,3-BENZENEDISULFONAMIDE
4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE
5-AMINO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-2,4-DISULFONAMIDE
5-Amino-alpha,alpha,alpha-trifluorotoluene-2,4-disulphonamide
4-Amino-6-trifluoromethyl-1,3-benzenedisul-famide
Trifluoromethyldisulfonamide
2,4-Disulfamyl-5-trifluoromethylaniline
2-AMINO-4-TRIFLUOROMETHYLBENZENE-1,5-DISULFONAMIDE
1,3-Benzenedisulfonamide, 4-amino-6-(trifluoromethyl)-
5-amino-α,α,α-trifluorotoluene-2,4-disulfonamide
4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonami
4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE TECHN. 96%
[EINECS(EC#)]

211-506-8
[Molecular Formula]

C7H8F3N3O4S2
[MDL Number]

MFCD00197629
[Molecular Weight]

319.28
[MOL File]

654-62-6.mol
Chemical PropertiesBack Directory
[Melting point ]

241-246 °C
[Boiling point ]

562.8±60.0 °C(Predicted)
[density ]

1.743±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

9.14±0.60(Predicted)
[color ]

White to Off-White
[BRN ]

1164542
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
[InChIKey]

KRVABEGPNKGLOT-UHFFFAOYSA-N
[SMILES]

C1(S(N)(=O)=O)=C(C(F)(F)F)C=C(N)C(S(N)(=O)=O)=C1
[CAS DataBase Reference]

654-62-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HS Code ]

2935909550
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzotrifluoride-->Benzotrichloride-->3-Nitrobenzotrifluoride
Hazard InformationBack Directory
[Chemical Properties]

Crystallizes. Melting point 242°C.
[Uses]

2,4-Disulfamyl-5-trifluoromethylaniline is a carbonic anhydrase inhibitor, used as a potential anti-tumor and antiglaucoma drug. Metabolite of hydroflumethazide, a diuretic.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide(654-62-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

654-62-6(sigmaaldrich)
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