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237401-34-2 molecular structure
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ethylboronic acid

ChemBase ID: 10778
Molecular Formular: C2H7BO2
Molecular Mass: 73.88678
Monoisotopic Mass: 74.05390986
SMILES and InChIs

SMILES:
C(C)B(O)O
Canonical SMILES:
CCB(O)O
InChI:
InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3
InChIKey:
PAVZHTXVORCEHP-UHFFFAOYSA-N

Cite this record

CBID:10778 http://www.chembase.cn/molecule-10778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethylboronic acid
IUPAC Traditional name
boronic acid, ethyl-
Synonyms
Ethylboronic acid
Ethaneboronic acid
Ethylboronic acid
乙基硼酸
CAS Number
237401-34-2
4433-63-0
MDL Number
MFCD01074536
Beilstein Number
1731546
PubChem SID
160974085
PubChem CID
521157

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.3781062  LogD (pH = 7.4) 0.36317217 
Log P 0.3783  Molar Refractivity 15.5095 cm3
Polarizability 7.648377 Å3 Polar Surface Area 40.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 8.847966 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
84-86°C expand Show data source
84-88°C expand Show data source
84-88°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT, KEEP COLD expand Show data source
Irritant/Air Sensitive/Store under Argon/Keep Cold expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download 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
P280G-P305+P351+P338 expand Show data source
Purity
97% 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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