| CAS Number | 2096330-85-5 |
| Catalog Number | AG01DFB4 |
| Chemical Name | 4-ethylpyridine-3-boronic acid pinacol ester |
| IUPAC Name | 4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI | InChI=1S/C13H20BNO2/c1-6-10-7-8-15-9-11(10)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3 |
| InChI Key | UMTCATCTKZVZRN-UHFFFAOYSA-N |
| MDL Number | MFCD13182290 |
| Molecular Formula | C13H20BNO2 |
| Molecular Weight | 233.1144 |
| SMILES | CCC1=C(B2OC(C)(C)C(C)(C)O2)C=NC=C1 |
| Synonyms | 4-ETHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER,
2096330-85-5,
MFCD13182290,
ZINC206115495,
MB13309,
4-Ethylpyridine-3-boronicAcidPinacolEster,
SY029183,
MFCD13182290 (95%),
4-ETHYLPYRIDIN-3-YLBORONIC ACID PINACOL ESTER,
4-ETHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.118g/mol |
| Monoisotopic Mass | 233.159g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number