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3622-35-3

3622-35-3 Structure

3622-35-3 Structure
IdentificationMore
[Name]

BENZOTHIAZOLE-6-CARBOXYLIC ACID
[CAS]

3622-35-3
[Synonyms]

1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID
6-BENZOTHIAZOLECARBOXYLIC ACID
BENZOTHIAZOLE-6-CARBOXYLIC ACID
BUTTPARK 29\06-35
1,3-Benzothiazole-6-carboxylic acid, tech
6-Benzothiazolecarboxylicacid(6CI,7CI,8CI,9CI)
[Molecular Formula]

C8H5NO2S
[MDL Number]

MFCD00111651
[Molecular Weight]

179.2
[MOL File]

3622-35-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powde
[Melting point ]

245-251 °C(lit.)
[Boiling point ]

387.7±15.0 °C(Predicted)
[density ]

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

Sealed in dry,Room Temperature
[form ]

Powder
[pka]

3.70±0.30(Predicted)
[color ]

White to pale brown
[InChI]

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

DMPZJACLHDWUFS-UHFFFAOYSA-N
[SMILES]

S1C2=CC(C(O)=O)=CC=C2N=C1
[CAS DataBase Reference]

3622-35-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29342000
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powde
[Uses]

Benzothiazole-6-carboxylic acid may be used in the synthesis of N-(pyridin-4-yl)benzo[d]thiazole-6-carboxamide, which shows the potential to inhibit K1 capsule formation in uropathogenic Escherichia coli. It may also be used as an internal standard during the quantification of benzothiazoles by liquid chromatography-electrospray ionization-tandem mass spectrometry.
[General Description]

Benzothiazole-6-carboxylic acid (BTCA) is a benzothiazole derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

BENZOTHIAZOLE-6-CARBOXYLIC ACID(3622-35-3)MS
BENZOTHIAZOLE-6-CARBOXYLIC ACID(3622-35-3)1HNMR
BENZOTHIAZOLE-6-CARBOXYLIC ACID(3622-35-3)IR1
BENZOTHIAZOLE-6-CARBOXYLIC ACID(3622-35-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3-Benzothiazole-6-carboxylic acid, TECH(3622-35-3)
[Sigma Aldrich]

3622-35-3(sigmaaldrich)
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