4-[(4-methylbenzenesulfonyl)oxy]-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol | CAS No. 99099-78-2

Basic Information

4-[(4-methylbenzenesulfonyl)oxy]-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol

CAS Number

99099-78-2

Molecular Formula

C19H21N3O6S

Molecular Weight

419.50 g/mol

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Basic Physical Properties

Boiling Point

708.2°Cat760mmHg

Density

1.44

Flash Point

382.1°C

Refractive Index

1.65

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C2=NN(N=C2)C3=CC=CC=C3)O)O)O

InChI

InChI=1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)29(26,27)28-12-17(23)19(25)18(24)16-11-20-22(21-16)14-5-3-2-4-6-14/h2-11,17-19,23-25H,12H2,1H3

InChIKey

WHXCEDUFWVSHQA-UHFFFAOYSA-N

LogP

0.7364199999999999

Topological Polar Surface Area

134.77 Ų

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

602

Classification & Uses

Safety Information

Synonyms & References

English

  • [2,3,4-trihydroxy-4-(2-phenyltriazol-4-yl)butyl] 4-methylbenzenesulfonate
  • 2,3,4-trihydroxy-4-(2-phenyl-2H-1,2,3-triazol-4-yl)butyl 4-methylbenzenesulfonate
  • DTXSID50407126
  • SR-01000070776
  • 4-{[(4-methylbenzene)sulfonyl]oxy}-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol
  • SR-01000070776-1
  • EN300-13669
  • 99099-78-2
  • 4-[(4-methylbenzenesulfonyl)oxy]-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol
  • AKOS027379416
  • N-BUTYRALDEHYDE2,4-DINITROPHENYLHYDRAZONE
  • 1,2,3,4-Butanetetrol,1-(2-phenyl-2H-1,2,3-triazol-4-yl)-, 4-(4-methylbenzenesulfonate)
  • 2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE
  • 4-(4-methylbenzenesulfonyl)oxy-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol

MDL_Number

MFCD06660544

CAS Number

99099-78-2

Supplier Information

Supplier Name Member Level Authentication Status Main Category MOQ Action
ChinaChina - Shanghai Hansi Chemical Co., Ltd.

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