Basic information
- CAS
603122-84-5- Standard SMILES
COC(=O)c1ccc(B(O)O)c(F)c1- InChIKey
BKWRLCIYMAYFPA-UHFFFAOYSA-N- Molecular formula
- C8H8BFO4
- Average molar mass
- 197.96 g/mol
- Monoisotopic mass
- 198.04996736
Names & identifiers
- Preferred name
- 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
- IUPAC
- (2-fluoro-4-methoxycarbonylphenyl)boronic acid
- English name
- 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid
- Molecular formula
- C8H8BFO4
- Molecular weight
- 197.96
Names & synonyms
2-Fluoro-4-(methoxycarbonyl)benzeneboronic acidRefChem:472314692-879-8603122-84-52-Fluoro-4-(methoxycarbonyl)phenylboronic acid2-FLUORO-4-METHOXYCARBONYLPHENYLBORONIC ACID[2-fluoro-4-(methoxycarbonyl)phenyl]boronic acid(2-fluoro-4-(methoxycarbonyl)phenyl)boronic acidMFCD08436034(2-fluoro-4-methoxycarbonylphenyl)boronic acid2-Fluoro-4-(methoxycarbonyl)phenylboronicAcid2-fluoro-4-methoxycarbonyl-phenylboronic acid
Show more names
uoro-4-methoxycarbonyLO-fluoro p-methoxy carbonyl phMethyl 4-borono-3-fluorobenzoateO-fluoro p-methoxy carbonyl phenyl boronic acidBenzoic acid, 4-borono-3-fluoro-, 1-methyl ester2-Fluoro-4-(methoxycarbonyl)benzeneboronicacid98%2-Fluoro-4-(methoxycarbonyl)phenylboronic acid 98%
4-(methoxycarbonyl)-2-fluorophenylboronic acid(2-fluoro-4-methoxycarbonyl-phenyl)boronic acidAM20040818FT-0678856SCHEMBL362782SCHEMBL29535990DTXSID30647604BKWRLCIYMAYFPA-UHFFFAOYSA-N
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 173 · 173-175
- Boiling point
- 355.1 · 355.1±52.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- powder
- pka
- 7.49 · 7.49±0.58(Predicted)
- color
- White to off-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 3 reports by companies from 3 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
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Related reactions
12 records
Compound notes
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