5-(2-Chloroethyl)-4-methyl-2-phenylthiazole ethanedisulfonate (2:1)
[CAS# 31805-53-5]

Identification

• Name: 5-(2-Chloroethyl)-4-methyl-2-phenylthiazole ethanedisulfonate (2:1)
• Synonyms: 5-(2-Chloroethyl)-4-Methyl-2-Phenyl-Thiazole; 5-(2-Chloroethyl)-4-Methyl-2-Phenyl-Thiazole; Ethane-1,2-Disulfonic Acid; 5-(2-Chloroethyl)-4-Methyl-2-Phenylthiazole; 5-(2-Chloroethyl)-4-Methyl-2-Phenylthiazole; Ethane-1,2-Disulfonic Acid
• Molecular Formula: C₂₆H₃₀Cl₂N₂O₆S₄
• Molecular Weight: 665.68
• CAS Registry Number: 31805-53-5
• SMILES: C2=C(C1=NC(=C(S1)CCCl)C)C=CC=C2.C4=C(C3=NC(=C(S3)CCCl)C)C=CC=C4.C([S](=O)(=O)O)C[S](=O)(=O)O
• InChI: 1S/2C12H12ClNS.C2H6O6S2/c2*1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;3-9(4,5)1-2-10(6,7)8/h2*2-6H,7-8H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)
• InChIKey: QISDTLRXHVGGDY-UHFFFAOYSA-N

Properties

• Boiling point: 379.8°C at 760 mmHg (Cal.)
• Flash point: 183.5°C (Cal.)