Potassium 4-carboxyphenyltrifluoroborate
Basic information
- CAS
850623-38-0- Standard SMILES
O=C(O)c1ccc([B-](F)(F)F)cc1.[K+]- InChIKey
NMZCPMQLYMSRAD-UHFFFAOYSA-N- Molecular formula
- C7H5BF3KO2
- Average molar mass
- 228.02 g/mol
- Monoisotopic mass
- 227.9971755
Names & identifiers
- Preferred name
- Potassium 4-carboxyphenyltrifluoroborate
- IUPAC
- potassium (4-carboxyphenyl)-trifluoroboranuide
- English name
- Potassium (4-carboxyphenyl)trifluoroborate
- Molecular formula
- C7H5BF3KO2
- Molecular weight
- 228.02
Names & synonyms
Potassium 4-carboxyphenyltrifluoroborateRefChem:867624624-842-9677-041-1850623-38-0Potassium (4-carboxyphenyl)trifluoroborateMFCD04115737potassium;(4-carboxyphenyl)-trifluoroboranuidePOTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORANUIDESCHEMBL3951402DTXSID50635705SBB097223
Show more names
(4-carboxyphenyl)-trifluoroboranuidePOTASSIUM (4-CARBOXYPHENY)TRIFLUOROBORATEPotassium (p-Carboxyphenyl)trifluoroboratepotassium (4-carboxyphenyl)-trifluoroboranuidePOTASSIUM (4-CARBOXYPHENYL)TRIFLUOROBORATE ISO 9001：2015 REACH
AKOS015910156AB20502AS-2344CS-W010412SY286274D71355Potassium (4-carboxyphenyl)-trifluoro-boranuidepotassium;(4-carboxyphenyl)-trifluoro-boranuide
Database identifiers
- CAS
850623-38-0- PubChem CID
- 23697341
- DTXSID
DTXSID50635705- EC Number
- 677-041-1
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C7H5BF3O2.K/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q-1;+1
- InChIKey
- NMZCPMQLYMSRAD-UHFFFAOYSA-N
- SMILES
- [K+].OC(=O)c1ccc(cc1)[B-](F)(F)F
- UNSPSC Code
- 12352103 · 12352103
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 a-P304+P340-P405-P501a-P261-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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 (97.7%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280a-P304+P340-P405-P501a-P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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