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1073353-98-6 molecular structure
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2,5-dichloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

ChemBase ID: 296517
Molecular Formular: C11H14BCl2NO2
Molecular Mass: 273.95136
Monoisotopic Mass: 273.04946445
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1cc(ncc1Cl)Cl
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1cc(Cl)ncc1Cl
InChI:
InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-9(14)15-6-8(7)13/h5-6H,1-4H3
InChIKey:
ROOZGFDFEKVFDG-UHFFFAOYSA-N

Cite this record

CBID:296517 http://www.chembase.cn/molecule-296517.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dichloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Traditional name
2,5-dichloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Synonyms
2,5-Dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2,5-Dichloropyridine-4-boronic acid pinacol ester
2,5-DICHLOROPYRIDINE-4-BORONIC ACID PINACOL ESTER
2,5-二氯吡啶-4-硼酸频哪酯
CAS Number
1073353-98-6
MDL Number
MFCD06798256
PubChem SID
180682048
PubChem CID
44755157

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 44755157 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9952  LogD (pH = 7.4) 3.9952 
Log P 3.9952  Molar Refractivity 64.2271 cm3
Polarizability 26.968964 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
83-85°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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