Basic information
- CAS
459810-97-0- Standard SMILES
O=Cc1ccc(OC(F)(F)F)c(B(O)O)c1- InChIKey
YIQZPNQAVZJFIZ-UHFFFAOYSA-N- Molecular formula
- C8H6BF3O4
- Average molar mass
- 233.94 g/mol
- Monoisotopic mass
- 234.0311233
Names & identifiers
- Preferred name
- 5-Formyl-2-(trifluoromethoxy)benzeneboronic acid
- IUPAC
- [5-formyl-2-(trifluoromethoxy)phenyl]boronic acid
- English name
- 5-FORMYL-2-(TRIFLUOROMETHOXY)BENZENEBORONIC ACID
- Molecular formula
- C8H6BF3O4
- Molecular weight
- 233.94
Names & synonyms
459810-97-05-Formyl-2-(trifluoromethoxy)benzeneboronic acid[5-Formyl-2-(trifluoromethoxy)phenyl]boronic acid(5-Formyl-2-(trifluoromethoxy)phenyl)boronic acidstarbld0019293Boronic acid, [5-formyl-2-(trifluoromethoxy)phenyl]-SCHEMBL3295670DTXSID70620951MFCD08741400SBB0981522-trifluoromethoxy-5-formylphenylboronic acid2-trifluoromethoxy-5-formyl-phenyl boronic acid
Show more names
3-Borono-4-(trifluoromethoxy)benzaldehydeBoronic acid, B-[5-formyl-2-(trifluoromethoxy)phenyl]-
Database identifiers
- CAS
459810-97-0- PubChem CID
- 21966428
- DTXSID
DTXSID70620951
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司18455579438
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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