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Basic information
- CAS
889672-72-4- Standard SMILES
CC1(C)OB(c2cnc(Cl)s2)OC1(C)C- InChIKey
UAXMSLFTXSRLPV-UHFFFAOYSA-N- Molecular formula
- C9H13BClNO2S
- Average molar mass
- 245.54 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
- IUPAC
- 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
- English name
- 2-chlorothiazol-5-ylboronic acid pinacol ester
- Molecular formula
- C9H13BClNO2S
- Molecular weight
- 245.53
Names & synonyms
889672-72-42-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazoleRefChem:469255823-013-02-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIAZOLE2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazoleMFCD106974412-CHLOROTHIAZOL-5-YLBORONIC ACID PINACOL ESTER2-CHLOROTHIAZOLE-5-BORONIC ACID PINACOL ESTER(2-CHLOROTHIAZOL-5-YL)BORONIC ACID PINACOL ESTERC9H13BClNO2SSCHEMBL2379522
Show more names
Thiazole, 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-chlorothiazol-5-yl)boronate
UAXMSLFTXSRLPV-UHFFFAOYSA-NPKB67272AKOS015946476AB59619AS-47773SY201362EN300-211393F16098
Database identifiers
- CAS
889672-72-4- PubChem CID
- 11601223
- EC Number
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 0.11 Torr)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 0.69 · 0.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers21 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
上海华思格医药科技有限公司13611612777 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
Related reactions
3 records
Compound notes
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