(4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid
Basic information
- CAS
454185-96-7- Standard SMILES
COC(=O)Cc1ccc(B(O)O)cc1- InChIKey
CKXOGMXYISAZGN-UHFFFAOYSA-N- Molecular formula
- C9H11BO4
- Average molar mass
- 193.99 g/mol
- Monoisotopic mass
- 194.07503923
Names & identifiers
- Preferred name
- (4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid
- IUPAC
- [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
- English name
- (4-Methoxycarbonylmethylphenyl)boronic acid
- Molecular formula
- C9H11BO4
- Molecular weight
- 193.99
Names & synonyms
454185-96-7(4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid[4-(2-methoxy-2-oxoethyl)phenyl]boronic acidDTXSID70460470RefChem:1050370DTXCID104112894-(2-Methoxy-2-oxoethyl)phenylboronic Acid(4-Methoxycarbonylmethyl)phenylboronic acid(4-Methoxycarbonylmethylphenyl)boronic acidMFCD09997796Methyl (4Methyl (4-boronophenyl)acetate
Show more names
(4-(2-Methoxy-2-oxoethyl)1-Methyl 4-boronobenzeneacetateBenzeneacetic acid, 4-borono-, Methyl ester4-(2-Methoxycarbonylmethyl)phenylboronic acidBenzeneacetic acid, 4-borono-, 1-methyl ester
SCHEMBL1240497AKOS006305220SB37238CS-11530DA-22818SY024076CS-0036604(4-(2-Methoxy-2-oxoethyl)phenyl)boronicacid
Database identifiers
- CAS
454185-96-7- PubChem CID
- 11264019
- DTXSID
DTXSID70460470- Nikkaji
- J3.634.977H
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 134 · 134-135 °C
- Boiling point
- 344.557 · 344.557±44.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- pka
- 8.545 · 8.545±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses(4-Methoxycarbonylmethyl)phenylboronic acid
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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