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40991-34-2

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40991-34-2 Structure

40991-34-2 Structure
IdentificationBack Directory
[Name]

1,2-BENZISOTHIAZOLE-3-CARBOXYLIC ACID
[CAS]

40991-34-2
[Synonyms]

Brn 0136252
3-Carboxy-1,2-benzisothiazole
Acido 3-benzisotiazolcarbossilic
BENZISOTHIAZOLE-3-CARBOXYLICACID
1,2-benzothiazole-3-carboxylic acid
1,2-BENZISOTHIAZOLE-3-CARBOXYLIC ACID
1,2-BENZOISOTHIAZOLE-3-CARBOXYLIC ACID
Acido 3-benzisotiazolcarbossilic [italian]
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C8H5NO2S
[MDL Number]

MFCD01658903
[MOL File]

40991-34-2.mol
[Molecular Weight]

179.2
Chemical PropertiesBack Directory
[Boiling point ]

279.7±23.0 °C(Predicted)
[density ]

1.508±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

0.95±0.10(Predicted)
[InChI]

InChI=1S/C8H5NO2S/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)
[InChIKey]

KTORKRBAIRTBCP-UHFFFAOYSA-N
[SMILES]

S1C2=C(C=CC=C2)C(C(O)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

Xn
[Risk Statements ]

22
Spectrum DetailBack Directory
[Spectrum Detail]

1,2-BENZISOTHIAZOLE-3-CARBOXYLIC ACID(40991-34-2)1HNMR
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