2,3,4,5,6-Pentafluorobenzaldehyde - CAS 653-37-2
Catalog: |
BB032701 |
Product Name: |
2,3,4,5,6-Pentafluorobenzaldehyde |
CAS: |
653-37-2 |
Synonyms: |
2,3,4,5,6-pentafluorobenzaldehyde |
IUPAC Name: | 2,3,4,5,6-pentafluorobenzaldehyde |
Description: | 2,3,4,5,6-Pentafluorobenzaldehyde (CAS# 653-37-2) is a useful research chemical. |
Molecular Weight: | 196.07 |
Molecular Formula: | C7HF5O |
Canonical SMILES: | C(=O)C1=C(C(=C(C(=C1F)F)F)F)F |
InChI: | InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H |
InChI Key: | QJXCFMJTJYCLFG-UHFFFAOYSA-N |
Boiling Point: | 164-166 ℃ |
Melting Point: | 20-166 ℃ |
Purity: | 95 % |
Density: | 1.58 g/cm3 |
Appearance: | Clear yellowish liquid after melting |
MDL: | MFCD00003303 |
LogP: | 2.19460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22842234 | 20121001 | Neuroactive steroids with perfluorobenzoyl group | Steroids |
22437965 | 20120507 | Core-modified hexaphyrin: synthesis and characterization of 31,34-disilahexaphyrinoid | Organic & biomolecular chemistry |
22120975 | 20111216 | Synthesis and properties of hybrid porphyrin tapes | Chemistry (Weinheim an der Bergstrasse, Germany) |
22199885 | 20111201 | (E,E)-N-(2,3,4,5,6-Penta-fluoro-benzyl-idene)-N-(3,4,5-trimeth-oxy-benzyl-idene)benzene-1,4-diamine | Acta crystallographica. Section E, Structure reports online |
22199911 | 20111201 | N,N,N,N-Tetra-kis(2,3,4,5,6-penta-fluoro-benzo-yl)pyridine-2,6-diamine | Acta crystallographica. Section E, Structure reports online |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.99475546 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.99475546 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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