(2-Methyl-5-(trifluoromethyl)phenyl)boronic acid
Basic information
- CAS
947533-96-2- Standard SMILES
Cc1ccc(C(F)(F)F)cc1B(O)O- InChIKey
WFARXIDYQNIXLI-UHFFFAOYSA-N- Molecular formula
- C8H8BF3O2
- Average molar mass
- 203.96 g/mol
- Monoisotopic mass
- 204.0569441
Names & identifiers
- Preferred name
- (2-Methyl-5-(trifluoromethyl)phenyl)boronic acid
- IUPAC
- [2-methyl-5-(trifluoromethyl)phenyl]boronic acid
- English name
- 2-Methyl-5-trifluoromethyl-phenylboronic acid
- Molecular formula
- C8H8BF3O2
- Molecular weight
- 203.95
Names & synonyms
947533-96-2[2-methyl-5-(trifluoromethyl)phenyl]boronic acid(2-METHYL-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACIDDTXSID80659373RefChem:206166DTXCID40610122867-198-62-Methyl-5-(trifluoromethyl)phenylboronic acid2-METHYL-5-TRIFLUOROMETHYL-PHENYLBORONIC ACIDMFCD110424322-Methyl-5-(trifluoromethyl)phenyl boronic acid2-Methyl-5-trifluoromethylphenylboronic acid
Show more names
2-methyl-5-trifluoromethylbenzeneboronic acid2-Methyl-5-trifluoromethyl-phenylboronic acid 96%Boronic acid, B-[2-methyl-5-(trifluoromethyl)phenyl]-(2-Methyl-5-(trifluoromethyl)phenyl)boronic acid - [M89000]
2-Methyl-5-(trifluoromethyl)phenylboronicacidSCHEMBL4841354SCHEMBL29427029XH0402AKOS015842294BS-24686SY066130DB-028153
Database identifiers
- CAS
947533-96-2- PubChem CID
- 44558153
- DTXSID
DTXSID80659373- EC Number
- 867-198-6
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 287 · 287.0±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- form
- solid
- pka
- 7.63 · 7.63±0.58(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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