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4-Amino-6-Chlorotoluene-2-Sulphonic Acid
[CAS# 6387-22-0]

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Identification
Name 4-Amino-6-Chlorotoluene-2-Sulphonic Acid
Synonyms Oprea1_513543
Molecular Structure CAS#: 6387-22-0, 4-Amino-6-Chlorotoluene-2-Sulphonic Acid
Molecular Formula C25H19ClN2O3S
Molecular Weight 462.95
CAS Registry Number 6387-22-0
EINECS 228-992-2
SMILES C1=C(N=C4C(=C1C(=O)NC2=C(C3=C(S2)CCC3)C(OC)=O)C=CC=C4)C5=C(Cl)C=CC=C5
InChI 1S/C25H19ClN2O3S/c1-31-25(30)22-16-9-6-12-21(16)32-24(22)28-23(29)17-13-20(15-8-2-4-10-18(15)26)27-19-11-5-3-7-14(17)19/h2-5,7-8,10-11,13H,6,9,12H2,1H3,(H,28,29)
InChIKey WZSLRYGCMKLVQW-UHFFFAOYSA-N
Properties
Density 1.406g/cm3 (Cal.)
Boiling point 605.123°C at 760 mmHg (Cal.)
Flash point 319.767°C (Cal.)
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