Ethanesulfonic Acid - 3-Chloro-2-{[2-Chloro-4-(4,6-Diamino-2,2-Dimethyl-1,3,5-Triazin-1(2H)-Yl)Phenoxy]Methyl}Benzenesulfonyl Fluoride (1:1)
[CAS# 31323-76-9]

Identification

• Name: Ethanesulfonic Acid - 3-Chloro-2-{[2-Chloro-4-(4,6-Diamino-2,2-Dimethyl-1,3,5-Triazin-1(2H)-Yl)Phenoxy]Methyl}Benzenesulfonyl Fluoride (1:1)
• Synonyms: ETHANESULFONIC ACID- 3-CHLORO-2-{[2-CHLORO-4-(4,6-DIAMINO-2,2-DIMETHYL-1,3,5-TRIAZIN-1(2H)-YL)PHENOXY]METHYL}BENZENESULFONYL FLUORIDE(1:1); NSC131022
• Molecular Formula: C₂₀H₂₄Cl₂FN₅O₆S₂
• Molecular Weight: 584.47
• CAS Registry Number: 31323-76-9
• SMILES: O=S(=O)(O)CC.FS(=O)(=O)c1cccc(Cl)c1COc2c(Cl)cc(cc2)N3C(=N/C(=N\C3(C)C)N)\N
• InChI: 1S/C18H18Cl2FN5O3S.C2H6O3S/c1-18(2)25-16(22)24-17(23)26(18)10-6-7-14(13(20)8-10)29-9-11-12(19)4-3-5-15(11)30(21,27)28;1-2-6(3,4)5/h3-8H,9H2,1-2H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)
• InChIKey: CAZPAIPMZZJVOI-UHFFFAOYSA-N

Properties

• Boiling point: 625.9°C at 760 mmHg (Cal.)
• Flash point: 332.3°C (Cal.)