5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid
Basic information
- CAS
302911-88-2- Standard SMILES
O=C(O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1- InChIKey
SSIFVNBQAZVYCS-UHFFFAOYSA-N- Molecular formula
- C12H6ClF3O3
- Average molar mass
- 290.62 g/mol
- Monoisotopic mass
- 289.9957562
Names & identifiers
- Preferred name
- 5-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acid
- IUPAC
- 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxylic acid
- English name
- 5-(2-Chloro-5-(trifluoromethyl)phenyl)-&
- Molecular formula
- C12H6ClF3O3
- Molecular weight
- 290.62
Names & synonyms
302911-88-25-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furoic acidDTXSID003502595-(2-Chloro-5-(trifluoromethyl)phenyl)-2-furoic acidRefChem:299410DTXCID60301328685-907-55-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxylic Acid5-(2-Chloro-5-(trifluoromethyl)phenyl)furan-2-carboxylic acid5-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furancarboxylic acid2-Furancarboxylic acid, 5-[2-chloro-5-(trifluoromethyl)phenyl]-MFCD00274247
Show more names
STL376948AKOS000109302CCG-2536765-[2-chloro-5-(trifluoromethyl)-phenyl]-2-furoic acidSB61065CS-03181655-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furoic acid, 96%5-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-&
Database identifiers
- CAS
302911-88-2- PubChem CID
- 676249
- DTXSID
DTXSID00350259- EC Number
- 685-907-5
Properties
Computed structural properties
- XLogP
- 4
- 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
- 348
Physicochemical properties
- Melting point
- 215 · 215-219 °C (dec.)(lit.)
- InChI
- 1S/C12H6ClF3O3/c13-8-2-1-6(12(14,15)16)5-7(8)9-3-4-10(19-9)11(17)18/h1-5H,(H,17,18)
- InChIKey
- SSIFVNBQAZVYCS-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc(o1)-c2cc(ccc2Cl)C(F)(F)F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…