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1257651-49-2 molecular structure
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2,4-dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ChemBase ID: 142917
Molecular Formular: C11H14BCl2NO2
Molecular Mass: 273.95136
Monoisotopic Mass: 273.04946445
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1c(ccnc1Cl)Cl
Canonical SMILES:
Clc1ccnc(c1B1OC(C(O1)(C)C)(C)C)Cl
InChI:
InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)8-7(13)5-6-15-9(8)14/h5-6H,1-4H3
InChIKey:
ZKIKGOMOMBWEOI-UHFFFAOYSA-N

Cite this record

CBID:142917 http://www.chembase.cn/molecule-142917.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Traditional name
2,4-dichloro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Synonyms
2,4-Dichloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2,4-Dichloropyridine-3-boronic acid pinacol ester
2,4-二氯-3-(4,4,5,5-四甲基-1,3,2-二氧杂环戊硼烷-2-基)吡啶
2,4-二氯吡啶-3-硼酸频哪醇酯
CAS Number
1257651-49-2
MDL Number
MFCD15144793
PubChem SID
162237143
PubChem CID
71310818

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
709883 external link Add to cart Please log in.
Data Source Data ID
PubChem 71310818 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9951997  LogD (pH = 7.4) 3.9952 
Log P 3.9952  Molar Refractivity 64.2271 cm3
Polarizability 26.971638 Å3 Polar Surface Area 31.35 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
63-67 °C 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
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C11H14BCl2NO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 709883 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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