Basic information
- CAS
2377607-76-4- Standard SMILES
COC(=O)c1ccc(B(O)O)c(C(F)(F)F)c1- InChIKey
LCYSERDAAKUQEQ-UHFFFAOYSA-N- Molecular formula
- C9H8BF3O4
- Average molar mass
- 247.97 g/mol
- Monoisotopic mass
- 248.0467734
Names & identifiers
- Preferred name
- (4-(Methoxycarbonyl)-2-(trifluoromethyl)phenyl)boronic acid
- IUPAC
- [4-methoxycarbonyl-2-(trifluoromethyl)phenyl]boronic acid
- English name
- 4-(Methoxycarbonyl)-2-(trifluoromethyl)phenylboronic acid
- Molecular formula
- C9H8BF3O4
- Molecular weight
- 247.96
Names & synonyms
2377607-76-44-(METHOXYCARBONYL)-2-(TRIFLUOROMETHYL)PHENYLBORONIC ACID(4-(Methoxycarbonyl)-2-(trifluoromethyl)phenyl)boronic acid[4-methoxycarbonyl-2-(trifluoromethyl)phenyl]boronic acidMFCD28515374[4-(methoxycarbonyl)-2-(trifluoromethyl)phenyl]boronic acidBS-33780CS-0178408E84361EN300-7421236F623312(4-(Methoxycarbonyl)-2-(trifluoromethyl)phenyl)boronicacid
Database identifiers
- CAS
2377607-76-4- PubChem CID
- 119021902
Properties
Computed structural properties
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 359.5 · 359.5±52.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 7.27 · 7.27±0.58(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安徽合诺生物科技有限公司18455579438
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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