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1395388 molecular structure
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(2-methoxyphenyl)boronic acid

ChemBase ID: 9448
Molecular Formular: C7H9BO3
Molecular Mass: 151.95556
Monoisotopic Mass: 152.06447455
SMILES and InChIs

SMILES:
c1ccc(c(c1)B(O)O)OC
Canonical SMILES:
COc1ccccc1B(O)O
InChI:
InChI=1S/C7H9BO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5,9-10H,1H3
InChIKey:
ROEQGIFOWRQYHD-UHFFFAOYSA-N

Cite this record

CBID:9448 http://www.chembase.cn/molecule-9448.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methoxyphenyl)boronic acid
IUPAC Traditional name
2-methoxyphenylboronic acid
Synonyms
(2-Methoxyphenyl)boric acid
o-Methoxybenzeneboronic acid
o-Anisylboronic acid
o-Methoxyphenylboronic acid
2-Methoxyphenylboronic acid
(2-methoxyphenyl)boronic acid
2-Methoxyphenylboronic acid
(2-methoxyphenyl)boranediol
2-Boronoanisole
2-Methoxyphenylboronic acid
2-Methoxybenzeneboronic acid
2-Methoxybenzeneboronic acid
邻甲氧基苯硼酸
2-甲氧基苯基硼酸
2-甲氧基苯硼酸
CAS Number
1395388
5720/6/9
5720-06-9
MDL Number
MFCD00236047
Beilstein Number
3030981
PubChem SID
24868169
160972755
PubChem CID
2733958

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.423333  H Acceptors
H Donor LogD (pH = 5.5) 1.386585 
LogD (pH = 7.4) 1.3479787  Log P 1.3871 
Molar Refractivity 37.0667 cm3 Polarizability 16.05375 Å3
Polar Surface Area 49.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102-106°C expand Show data source
105-107°C expand Show data source
105-110 °C(lit.) expand Show data source
109 - 110°C expand Show data source
Hydrophobicity(logP)
1.514 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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
26-37 expand Show data source
TSCA Listed
false expand Show data source
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
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
CH3OC6H4B(OH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 445231 external link
包装
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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