Basic information
- CAS
913835-82-2- Standard SMILES
CCOC(=O)CCc1cccc(B(O)O)c1- InChIKey
RTJGTDXOUMFFRS-UHFFFAOYSA-N- Molecular formula
- C11H15BO4
- Average molar mass
- 222.05 g/mol
- Monoisotopic mass
- 222.1063391
Names & identifiers
- Preferred name
- (3-(3-Ethoxy-3-oxopropyl)phenyl)boronic acid
- IUPAC
- [3-(3-ethoxy-3-oxopropyl)phenyl]boronic acid
- English name
- 3-(2-ETHOXYCARBONYLETHYL)BENZENEBORONIC ACID 97
- Molecular formula
- C11H15BO4
- Molecular weight
- 222.0454
Names & synonyms
913835-82-2(3-(3-Ethoxy-3-oxopropyl)phenyl)boronic acid3-(2-Ethoxycarbonylethyl)phenylboronic acid3-(3-ethoxy-3-oxopropyl)phenylboronic acid3-[2-(Ethoxycarbonyl)ethyl]benzeneboronic acid[3-(3-ethoxy-3-oxopropyl)phenyl]boronic acid3-(2-ethoxycarbonylethyl)benzeneboronic acid 97MFCD08689511[3-(2-Ethoxycarbonylethyl)phenyl]boronic acid3-(2-ethoxycarbonylSCHEMBL2557482SCHEMBL31326112
Show more names
(3-(3-ethoxy-3-oxopropyLETHYL 3-(3-BORONOPHENYL)PROPIONATE(3-(3-Ethoxy-3-oxopropyl)phenyl)boronicaci3-(2-ETHOXYCARBONYLETHYL)BENZENEBORONIC ACID3-[2-(Ethoxycarbonyl)ethyl]benzeneboronic acid 97%Benzenepropanoic acid, 3-borono-, α-ethyl ester (9CI)
DTXSID00657174SBB071224AKOS015838766AB48255AS-55359SY256117DB-028214(3-(3-Ethoxy-3-oxopropyl)phenyl)boronicacid
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 94 · 94-96
- Boiling point
- 382.6 · 382.6±44.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 8.49 · 8.49±0.10(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 913835 · 913835-82-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- 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_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers49 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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