Basic information
- CAS
874219-60-0- Standard SMILES
CCOC(=O)c1ccc(F)c(B(O)O)c1- InChIKey
QXIIYFKTSGJTNE-UHFFFAOYSA-N- Molecular formula
- C9H10BFO4
- Average molar mass
- 211.98 g/mol
- Monoisotopic mass
- 212.06561742
Names & identifiers
- Preferred name
- 5-(Ethoxycarbonyl)-2-fluorobenzeneboronic acid
- IUPAC
- (5-ethoxycarbonyl-2-fluorophenyl)boronic acid
- English name
- 3-BORONO-4-FLUOROBENZOIC ACID ETHYL ESTER
- Molecular formula
- C9H10BFO4
- Molecular weight
- 211.98
Names & synonyms
5-(Ethoxycarbonyl)-2-fluorobenzeneboronic acidRefChem:531226801-229-6874219-60-0(5-(Ethoxycarbonyl)-2-fluorophenyl)boronic acid5-Ethoxycarbonyl-2-fluorophenylboronic acid5-(ethoxycarbonyl)-2-fluorophenylboronic acid3-Borono-4-fluorobenzoic acid ethyl ester2-Fluoro-5-ethoxycarbonylphenylboronic acidMFCD08235094Ethyl 3-borono-4-fluorobenzoate(5-ethoxycarbonyl-2-fluorophenyl)boronic acid
Show more names
-2-fL5-EthoxycarbonyLBenzoic acid, 3-borono-4-fluoro-, 1-ethyl ester5-(Ethoxycarbonyl)-2-fluorobenzeneboronicacid97%5-(Ethoxycarbonyl)-2-fluorobenzeneboronic acid 97%
[5-(ethoxycarbonyl)-2-fluorophenyl]boronic acid(5-ethoxycarbonyl-2-fluoro-phenyl)boronic acid5-(Ethoxycarbonyl)-2-fluorophenylboronic Acid (contains varying amounts of Anhydride)SCHEMBL15067045SCHEMBL29955941DTXSID30660252QXIIYFKTSGJTNE-UHFFFAOYSA-NSBB094563
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 97 · 97-99
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- 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
- HazardClass
- IRRITANT
- HS Code
- 2931900090 · 2931900090
Safety & regulation
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usessuzuki reaction
Uses5-Ethoxycarbonyl-2-fluorophenylboronic acid
Suppliers45 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
T&W GROUP021-61551611 13296011611 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [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]
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13356901049 · [email protected]
Related reactions
1 records
Compound notes
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