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445264-61-9 molecular structure
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2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ChemBase ID: 141896
Molecular Formular: C12H18BNO3
Molecular Mass: 235.08722
Monoisotopic Mass: 235.13797384
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1ccc(nc1)OC
Canonical SMILES:
COc1ccc(cn1)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-10(15-5)14-8-9/h6-8H,1-5H3
InChIKey:
QOGNDJLSYMJGPP-UHFFFAOYSA-N

Cite this record

CBID:141896 http://www.chembase.cn/molecule-141896.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Traditional name
2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Synonyms
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-Methoxy-5-pyridineboronic acid pinacol ester
2-Methoxypyridine-5-boronic acid pinacol ester
2-METHOXYL-5-PYRIDINEBORONIC ACID PINACOL ESTER
6-Methoxypyridine-3-boronic acid pinacol ester
2-甲氧基-5-(4,4,5,5-四甲基-1,3,2-二杂氧戊硼烷-2-基)吡啶
2-甲氧基-5-吡啶硼酸频哪醇酯
2-甲氧基吡啶-5-硼酸频哪酯
CAS Number
445264-61-9
13472-61-2
MDL Number
MFCD05663858
PubChem SID
24882752
162236129
PubChem CID
16217714

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0343308  LogD (pH = 7.4) 3.034399 
Log P 3.0344  Molar Refractivity 60.3329 cm3
Polarizability 25.623838 Å3 Polar Surface Area 40.58 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
47-51 °C(lit.) expand Show data source
47-51°C expand Show data source
Flash Point
102 °C expand Show data source
215.6 °F expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
36/38 expand Show data source
Safety Statements
26 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
96% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C12H18BNO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 636029 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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