Basic information
- CAS
741709-59-1- Standard SMILES
CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
ISRQZHALMLGEGD-UHFFFAOYSA-N- Molecular formula
- C13H18BNO3
- Average molar mass
- 247.1 g/mol
- Monoisotopic mass
- 247.1379736
Names & identifiers
- Preferred name
- 1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethan-1-one
- IUPAC
- 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanone
- English name
- 1-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)ethanone
- Molecular formula
- C13H18BNO3
- Molecular weight
- 247.1
Names & synonyms
741709-59-11-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)ethan-1-oneDTXSID706944901-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethan-1-oneRefChem:225629DTXCID60645239967-796-81-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)ethanone6-Acetylpyridine-3-boronic acid pinacol esterMFCD129234341-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]ethanone(6-ACETYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER
Show more names
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-EthanoneEthanone,1-[5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-1-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)ethan-1-one - [T93467]
2-ACETYLPYRIDINE-5-BORONIC ACID PINACOL ESTERSCHEMBL2640279ISRQZHALMLGEGD-UHFFFAOYSA-N1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanone1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]ethanoneAKOS015949997MB12193AC-30414
Properties
Computed structural properties
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 363.7 · 363.7±27.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.99 · 2.99±0.12(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
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
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers52 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安徽合诺生物科技有限公司18455579438
上海安化生物技术有限公司021-61263375 18168859245
南京代盟化工有限公司02566880956 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
学研惠（武汉）科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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