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Basic information
- CAS
897958-93-9- Standard SMILES
COc1cc(F)c(B(O)O)cc1F- InChIKey
BRMUXDWCSVTVPQ-UHFFFAOYSA-N- Molecular formula
- C7H7BF2O3
- Average molar mass
- 187.94 g/mol
- Monoisotopic mass
- 188.04563092
Names & identifiers
- Preferred name
- 2,5-Difluoro-4-methoxyphenylboronic acid
- IUPAC
- (2,5-difluoro-4-methoxyphenyl)boronic acid
- English name
- 2,5-Difluoro-4-methoxyphenylboronic acid
- Molecular formula
- C7H7BF2O3
- Molecular weight
- 187.94
Names & synonyms
897958-93-92,5-Difluoro-4-methoxyphenylboronic acid(2,5-difluoro-4-methoxyphenyl)boronic acidC7H7BF2O3MFCD040387542,5-DIFLUORO-4-METHOXYBENZENEBORONIC ACID(2,5-difluoro-4-methoxy-phenyl)boronic AcidSCHEMBL789623DTXSID90395179SCHEMBL29408115SBB071158AKOS006344713
Show more names
2,5-Difluoro-4-methoxybenzeneboronic acid 98%Boronic acid, B-(2,5-difluoro-4-methoxyphenyl)-2,5-Difluoro-4-methoxyphenylboronic acid(contains varying amounts of anhydride)
AB17187AS-33366SY129576(2,5-difluoro-4-methoxyphenyl)boronicacidDB-010717CS-0176113[2,5-difluoro-4-(methyloxy)phenyl]boronic acidF210025
Database identifiers
- CAS
897958-93-9- PubChem CID
- 3696551
- DTXSID
DTXSID90395179
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 246 °C · >246°C (dec.)
- Boiling point
- 301.3 · 301.3±52.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 7.67 · 7.67±0.58(Predicted)
- form
- Solid
- color
- Dark Beige
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- IRRITANT
- 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
- hs_code
- 2931900090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
Usessuzuki reaction
Suppliers65 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
杭州东帆化学有限公司86-0571-85151182
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州苏凯路化学科技有限公司0512-0512-62766020 15995735907 · [email protected]
Related reactions
7 records
Compound notes
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