1,3-benzothiazol-2-ylboronic acid pinacol ester, stablized with lithium salt
Basic information
- CAS
1316275-48-5- Standard SMILES
CC1(C)OB(c2nc3ccccc3s2)OC1(C)C- InChIKey
XJTMYBOOAXHXBD-UHFFFAOYSA-N- Molecular formula
- C13H16BNO2S
- Average molar mass
- 261.2 g/mol
- Monoisotopic mass
- 261.0994801
Names & identifiers
- Preferred name
- 1,3-benzothiazol-2-ylboronic acid pinacol ester, stablized with lithium salt
- IUPAC
- 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
- English name
- 2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole
- Molecular formula
- C13H16BNO2S
- Molecular weight
- 261.15
Names & synonyms
1316275-48-51,3-Benzothiazol-2-ylboronic acid pinacol ester, stablized with lithium saltRefChem:413858894-214-92-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]THIAZOLE2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazoleMFCD11878161SCHEMBL15112382ALBB-030295AKOS022182357AT40303MB10727
Show more names
2-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiaz..Benzothiazole, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
DA-12392CS-0173905EN300-1065841,3-BenZothiaZol-2-ylboronic acid pinacol esterF6914452-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
Database identifiers
- CAS
1316275-48-5- PubChem CID
- 72218751
- EC Number
- 894-214-9
Properties
Computed structural properties
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Boiling point
- 313.6 · 313.6±25.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- pka
- 0.32 · 0.32±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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