Basic information
- CAS
229957-02-2- Standard SMILES
O=C(O)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F- InChIKey
CCKZULNPDWAPMX-UHFFFAOYSA-N- Molecular formula
- C12H6BrF3O3
- Average molar mass
- 335.07 g/mol
- Monoisotopic mass
- 333.94524
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
- IUPAC
- 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid
- English name
- 5-(4-Bromophenyl)-2-(trifluoromethyl)-3-furoic acid
- Molecular formula
- C12H6BrF3O3
- Molecular weight
- 335.07
Names & synonyms
229957-02-25-(4-Bromophenyl)-2-(trifluoromethyl)-3-furoic acid5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acidMFCD013134983-furancarboxylic acid, 5-(4-bromophenyl)-2-(trifluoromethyl)-Maybridge1_008413SCHEMBL897655HMS565G09DTXSID80371306CCKZULNPDWAPMX-UHFFFAOYSA-NAKOS027383351AS-9323
Show more names
BUTTPARK 97\12-095-(4-bromophenyl)-2-(trifluoromethyl)-3-furancarboxylic acid5-(4-Bromophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid, 5-(4-Bromophenyl)-3-carboxy-2-(trifluoromethyl)furan, 1-Bromo-4-[4-carboxy-5-(trifluoromethyl)fur-2-yl]benzene
MB01784DB-046043CS-0320649F3176385-(4-Bromo-phenyl)-2-trifluoromethyl-furan-3-carboxylic acid
Database identifiers
- CAS
229957-02-2- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 201 °C · 201 °C
- Boiling point
- 420.1 · 420.1±45.0 °C(Predicted)
- Density
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- form
- Solid
- pka
- 2.85 · 2.85±0.26(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P309+P311
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- Hazard Note
- Irritant
- HS Code
- 2932190090 · 2932190090
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
- 2932190090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 45
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P309+P311
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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