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Home > Encyclopedia > 4,5-DICHLOROISOTHIAZOLE-3-CARBOXYLIC ACID

4,5-DICHLOROISOTHIAZOLE-3-CARBOXYLIC ACID

4,5-DICHLOROISOTHIAZOLE-3-CARBOXYLIC ACID structure

4,5-DICHLOROISOTHIAZOLE-3-CARBOXYLIC ACID 

structure
  • CAS No:

    131947-13-2

  • Formula:

    C4HCl2NO2S

  • Chemical Name:

    4,5-DICHLOROISOTHIAZOLE-3-CARBOXYLIC ACID

  • Synonyms:

    4,5-Dichloroisothiazole-3-carboxylic acid;4,5-dichloro-1,2-thiazole-3-carboxylic acid;4,5-Dichloro-isothiazole-3-carboxylic acid;3-Isothiazolecarboxylicacid, 4,5-dichloro-;SMR000034060;ACMC-1BWZV;MLS000069294;SCHEMBL2064238;CHEMBL1893959;CTK0H3477

4,5-DICHLOROISOTHIAZOLE-3-CARBOXYLIC ACID Basic Attributes

198.03

196.91100

DTXSID00361340

2934999090

Characteristics

78.4

2.14810

1.824±0.06 g/cm3(Predicted)

169 °C

205.9±40.0 °C(Predicted)

1.646

0.147mmHg at 25°C

Safety Information

IRRITANT

R36/37/38

S26-S37/39

Xi

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

Computed Properties

Molecular Weight:198.03
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:196.9105048
Monoisotopic Mass:196.9105048
Topological Polar Surface Area:78.4
Heavy Atom Count:10
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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