Basic information
- CAS
660440-57-3- Standard SMILES
CCOC(=O)CCc1ccc(B(O)O)cc1- InChIKey
PRCOGZNDLWXGHB-UHFFFAOYSA-N- Molecular formula
- C11H15BO4
- Average molar mass
- 222.05 g/mol
- Monoisotopic mass
- 222.10633936
Names & identifiers
- Preferred name
- 4-(2-Ethoxycarbonylethyl)benzeneboronic acid
- IUPAC
- [4-(3-ethoxy-3-oxopropyl)phenyl]boronic acid
- English name
- [4-(2-Ethoxycarbonylethyl)phenyl]boronic acid
- Molecular formula
- C11H15BO4
- Molecular weight
- 222.05
Names & synonyms
4-(2-Ethoxycarbonylethyl)benzeneboronic acidRefChem:512429691-017-8660440-57-34-(2-Ethoxycarbonylethyl)phenylboronic acid(4-(3-Ethoxy-3-oxopropyl)phenyl)boronic acid[4-(3-ethoxy-3-oxopropyl)phenyl]boronic acid[4-(2-ethoxycarbonylethyl)phenyl]boronic Acid4-(3-ethoxy-3-oxopropyl)phenylboronic acidMFCD041156524-[2-ethoxycarbonylethyl]phenylboronic acid4-[2-ethoxycarbonyle
Show more names
SKL482(4-(3-Ethoxy-3-oxopropyl)1-Ethyl 4-boronobenzenepropanoateETHYL 3-(4-BORONOPHENYL)PROPIONATE4-(2-ethyloxycarbonylethyl)phenylboronic acid4-(2-Ethoxycarbonylethyl)benzeneboronicacid96%Benzenepropanoic acid, 4-borono-, 1-ethyl ester
SCHEMBL4630DTXSID60397322PRCOGZNDLWXGHB-UHFFFAOYSA-NAKOS015838767AB20332AS-66505DA-22707SY239338
Database identifiers
- CAS
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
- 212
Physicochemical properties
- Melting point
- 80 · 80-84°C
- Boiling point
- 370.7 · 370.7±44.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.66 · 8.66±0.16(Predicted)
- Appearance
- White to off-white Solid
- 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
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(2-Ethoxycarbonylethyl)phenylboronic acid
Suppliers42 total
上海康恩博医药科技有限公司17510465506 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司
Related reactions
24 records
Compound notes
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