Completing data — usually done within a minute
Basic information
- CAS
849061-98-9- Standard SMILES
O=Cc1cccc(B(O)O)c1F- InChIKey
YJXJCPZHXDDRNH-UHFFFAOYSA-N- Molecular formula
- C7H6BFO3
- Average molar mass
- 167.932 g/mol
- Monoisotopic mass
- 168.03940267
Names & identifiers
- Preferred name
- (2-Fluoro-3-formylphenyl)boronic acid
- IUPAC
- (2-Fluoro-3-formylphenyl)boronic acid
- English name
- 2-Fluoro-3-formylphenylboronic acid
- Molecular formula
- C7H6BFO3
- Molecular weight
- 167.93
Names & synonyms
uoro-3-formyL2-Fluoro-3-formylbenzeneboronic acid2-Fluoro-3-formylphenylboronic acid >=95%Boronic acid, B-(2-fluoro-3-formylphenyl)-2-Fluoro-3-formylphenylboronic Acid (contains varying amounts of Anhydride)
Database identifiers
- CAS
849061-98-9- PubChem CID
- 16217829
- DTXSID
DTXSID30584585- EC Number
- 834-013-5
Properties
Physicochemical properties
- Melting point
- 100 · 100-105 °C (lit.)
- Boiling point
- 352.5 · 352.5±52.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 7.63 · 7.63±0.58(Predicted)
- color
- White to Almost white
- InChI
- 1S/C7H6BFO3/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-4,11-12H
- InChIKey
- YJXJCPZHXDDRNH-UHFFFAOYSA-N
- SMILES
- OB(O)c1cccc(C=O)c1F
- UNSPSC Code
- 12352103 · 12352103
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- HS Code
- 2931900090 · 2931900090
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Usessuzuki reaction
UsesReactant involved in Suzuki-Miyaura coupling reactions for synthesis of aryl-substituted oxabenzindoles and methanobenzindoles
Suppliers77 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Related reactions
16 records
Compound notes
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