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590417-67-7

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590417-67-7 Structure

590417-67-7 Structure
IdentificationBack Directory
[Name]

Boronic acid, (2-methyl-5-benzothiazolyl)- (9CI)
[CAS]

590417-67-7
[Synonyms]

2-Methylbenzothiazole-5-boronic acid
2-Methylbenzo[d]thiazol-5-ylboronic acid
Boronic acid, (2-methyl-5-benzothiazolyl)-
(2-methyl-1,3-benzothiazol-5-yl)boronic acid
Boronic acid, B-(2-methyl-5-benzothiazolyl)-
Boronic acid, (2-methyl-5-benzothiazolyl)- (9CI)
[Molecular Formula]

C8H8BNO2S
[MDL Number]

MFCD12025970
[MOL File]

590417-67-7.mol
[Molecular Weight]

193.03
Chemical PropertiesBack Directory
[Boiling point ]

398.8±34.0 °C(Predicted)
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

7.36±0.30(Predicted)
[Appearance]

White to yellow Solid
[InChI]

1S/C8H8BNO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4,11-12H,1H3
[InChIKey]

XFPZHJXTRXAWAO-UHFFFAOYSA-N
[SMILES]

Cc1nc2cc(ccc2s1)B(O)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

WGK 3
[HS Code ]

2934208090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Spectrum DetailBack Directory
[Spectrum Detail]

Boronic acid, (2-methyl-5-benzothiazolyl)- (9CI)(590417-67-7)1HNMR
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