Potassium Trifluoro(4-isoquinolinyl)borate - CAS 1111733-07-3
Catalog: |
BB002732 |
Product Name: |
Potassium Trifluoro(4-isoquinolinyl)borate |
CAS: |
1111733-07-3 |
Synonyms: |
potassium;trifluoro(4-isoquinolinyl)boranuide; potassium;trifluoro(isoquinolin-4-yl)boranuide |
IUPAC Name: | potassium;trifluoro(isoquinolin-4-yl)boranuide |
Description: | Potassium Trifluoro(4-isoquinolinyl)borate (CAS# 1111733-07-3) is a useful research chemical. |
Molecular Weight: | 235.06 |
Molecular Formula: | C9H6F3NBK |
Canonical SMILES: | [B-](C1=CN=CC2=CC=CC=C12)(F)(F)F.[K+] |
InChI: | InChI=1S/C9H6BF3N.K/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9;/h1-6H;/q-1;+1 |
InChI Key: | QEIOJGBGINOBGG-UHFFFAOYSA-N |
Melting Point: | 251-256 °C |
Flash Point: | Not applicable |
MDL: | MFCD08458186 |
LogP: | 2.28920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0182453 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0182453 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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