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871125-67-6 molecular structure
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2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

ChemBase ID: 142384
Molecular Formular: C18H20BNO2
Molecular Mass: 293.1679
Monoisotopic Mass: 293.15870929
SMILES and InChIs

SMILES:
B1(OC(C(O1)(C)C)(C)C)c1ccc2c3ccccc3[nH]c2c1
Canonical SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)[nH]c1c2cccc1
InChI:
InChI=1S/C18H20BNO2/c1-17(2)18(3,4)22-19(21-17)12-9-10-14-13-7-5-6-8-15(13)20-16(14)11-12/h5-11,20H,1-4H3
InChIKey:
RLSJGSFDSSYNPL-UHFFFAOYSA-N

Cite this record

CBID:142384 http://www.chembase.cn/molecule-142384.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
IUPAC Traditional name
2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
Synonyms
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
9H-Carbazol-2-ylboronic acid pinacol ester
9H-Carbazole-2-boronic acid pinacol ester
2-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)-9H-咔唑
9H-咔唑-2-基硼酸频哪醇酯
9H-咔唑-2-硼酸频哪醇酯
CAS Number
871125-67-6
MDL Number
MFCD07784368
PubChem SID
24884118
162236614
PubChem CID
46738013

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
655724 external link Add to cart Please log in.
Data Source Data ID
PubChem 46738013 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.501225  H Acceptors
H Donor LogD (pH = 5.5) 5.0964 
LogD (pH = 7.4) 5.0964  Log P 5.0964 
Molar Refractivity 83.1273 cm3 Polarizability 36.853756 Å3
Polar Surface Area 34.25 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38-40-50/53 expand Show data source
Safety Statements
26-36/37-61 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335-H351-H400 expand Show data source
GHS Precautionary statements
P261-P273-P281-P305 + P351 + P338 expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
90% expand Show data source
Empirical Formula (Hill Notation)
C18H20BNO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 655724 external link
Other Notes
Remainder is carbazole
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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