Basic information
- CAS
870779-01-4- Standard SMILES
OB(O)c1ccccc1OCc1ccc(F)cc1- InChIKey
HVUHMAMWPTUWSC-UHFFFAOYSA-N- Molecular formula
- C13H12BFO3
- Average molar mass
- 246.04 g/mol
- Monoisotopic mass
- 246.0863526
Names & identifiers
- Preferred name
- (2-((4-Fluorobenzyl)oxy)phenyl)boronic acid
- IUPAC
- [2-[(4-fluorophenyl)methoxy]phenyl]boronic acid
- English name
- 2-(4-FLUOROBENZYLOXY)PHENYLBORONIC ACID
- Molecular formula
- C13H12BFO3
- Molecular weight
- 246.04
Names & synonyms
870779-01-4(2-((4-Fluorobenzyl)oxy)phenyl)boronic acid2-(4'-Fluorobenzyloxy)phenylboronic acidMFCD07369749[2-[(4-fluorophenyl)methoxy]phenyl]boronic acid{2-[(4-Fluorophenyl)methoxy]phenyl}boronic acid{2-[(4-fluorobenzyl)oxy]phenyl}boronic acidSCHEMBL9893416SCHEMBL30631479DTXSID20584615HVUHMAMWPTUWSC-UHFFFAOYSA-NAKOS009318037
Show more names
Boronic acid, B-[2-[(4-fluorophenyl)methoxy]phenyl]-2-(4′-Fluorobenzyloxy)phenylboronic acid, CAS 870779-01-4
AB32214BS-227492-(4''-Fluorobenzyloxy)phenylboronic Acid(2-((4-Fluorobenzyl)oxy)phenyl)boronicacidCS-0173921F76295F696253
Database identifiers
- CAS
870779-01-4- PubChem CID
- 16217876
- DTXSID
DTXSID20584615
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 94 · 94-106 °C(lit.)
- Boiling point
- 432.9 · 432.9±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.54 · 8.54±0.53(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- 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
- wgk
- 3
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses2-(4''-Fluorobenzyloxy)phenylboronic acid
Suppliers14 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
上海贤鼎生物科技有限公司4009209199 · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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