654-62-6

Name 4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
CAS 654-62-6
EINECS(EC#) 211-506-8
Molecular Formula C7H8F3N3O4S2
MDL Number MFCD00197629
Molecular Weight 319.28
MOL File 654-62-6.mol
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Chemical Properties

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 Data

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
REACH Registrations Active
HS Code  2935909550
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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