Potassium (3-Methoxyphenyl)trifluoroborate
Basic information
- CAS
438553-44-7- Standard SMILES
COc1cccc([B-](F)(F)F)c1.[K+]- InChIKey
GKDCWEPJOSDGHY-UHFFFAOYSA-N- Molecular formula
- C7H7BF3KO
- Average molar mass
- 214.04 g/mol
- Monoisotopic mass
- 214.017911
Names & identifiers
- Preferred name
- Potassium (3-Methoxyphenyl)trifluoroborate
- IUPAC
- potassium trifluoro-(3-methoxyphenyl)boranuide
- English name
- POTASSIUM (3-METHOXYPHENYL)TRIFLUOROBORATE
- Molecular formula
- C7H7BF3KO
- Molecular weight
- 214.03
Names & synonyms
Potassium (3-Methoxyphenyl)trifluoroborateRefChem:867417621-627-1438553-44-7Potassium trifluoro(3-methoxyphenyl)boratePotassium 3-methoxyphenyltrifluoroborateMFCD04039954POTASSIUM TRIFLUORO(3-METHOXYPHENYL)BORANUIDEpotassium;trifluoro-(3-methoxyphenyl)boranuidepotassium (3-methoxypheny)trifluoroboratePotassium trifluoro(3-methoxyphenyl)borate(1-)AB17461
Show more names
Potassium trifluoro(3-methoxyphenyl)POTASSIUM 3-METHOXYPHENYLTRIFLUOROBORAT&Trifluoro(3-methoxyphenyl)borate (Potassium)Potassium(3-Methoxyphenyl)trifluoroborate>potassium trifluoro-(3-methoxyphenyl)boranuideBorate(1-),trifluoro(3-methoxyphenyl)-, potassium
3-METHOXYPHENYLTRIFLUOROBORIC ACID POTASSIUM SALTtrifluoro-(3-methoxyphenyl)borSCHEMBL9893648DTXSID00635694SBB094876AKOS009159147AS-2336SY075680
Database identifiers
- CAS
438553-44-7- PubChem CID
- 23697282
- DTXSID
DTXSID00635694- EC Number
- 621-627-1
- Nikkaji
- J3.229.986E
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 177 · 177-180 °C(lit.)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- InChI
- 1S/C7H7BF3O.K/c1-12-7-4-2-3-6(5-7)8(9,10)11;/h2-5H,1H3;/q-1;+1
- InChIKey
- GKDCWEPJOSDGHY-UHFFFAOYSA-N
- SMILES
- [K+].COc1cccc(c1)[B-](F)(F)F
- UNSPSC Code
- 12352103 · 12352103
- 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 & 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 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- wgk
- 3
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- 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
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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