CAS:822-82-2 / isothiazole-4-carboxylic acid--Hangzhou Chempro Technology Co., Ltd.

CAS Number: 822-82-2
isothiazole-4-carboxylic acid

Structure
Name: isothiazole-4-carboxylic acid
Synonyms:

General Information

Product Number: 822822

CAS Number:

822-82-2

Name:

4-Isothiazolecarboxylicacid

Chemical Formula: C4H3NO2S

Exact Mass: 128.99

Molecular Weight: 129.14

m/z: 128.99 (100.0%), 129.99 (5.6%), 130.98 (4.5%)

Elemental Analysis: C, 37.20; H, 2.34; N, 10.85; O, 24.78; S, 24.83

InChI: InChI=1S/C4H3NO2S/c6-4(7)3-1-5-8-2-3/h1-2H,(H,6,7)

InChIKey: PCXTYKGTWQCNJI-UHFFFAOYSA-N

Canonical SMILES : C1=C(C=NS1)C(=O)O

Thermal Properties	Value	Note
Melting Point	162 °C	(3)CAS
Melting Point	162 °C	(4)CAS
Melting Point	162 °C	(5)CAS
Melting Point	161-162 °C	(2)IC

Specification

98%

References

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