3-Fluoro-5-(trifluoromethyl)benzaldehyde - CAS 188815-30-7
Catalog: |
BB014556 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)benzaldehyde |
CAS: |
188815-30-7 |
Synonyms: |
3-fluoro-5-(trifluoromethyl)benzaldehyde |
IUPAC Name: | 3-fluoro-5-(trifluoromethyl)benzaldehyde |
Description: | 3-Fluoro-5-(trifluoromethyl)benzaldehyde (CAS# 188815-30-7) is a useful research chemical. |
Molecular Weight: | 192.11 |
Molecular Formula: | C8H4F4O |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)F)C=O |
InChI: | InChI=1S/C8H4F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-4H |
InChI Key: | UZZYXZWSOWQPIS-UHFFFAOYSA-N |
Boiling Point: | 175 ℃ |
Purity: | 95 % |
Density: | 1.376 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00061312 |
LogP: | 2.65700 |
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 |
Publication Number | Title | Priority Date |
WO-2019233579-A1 | Organopolysiloxanes that cross-link at room temperature | 20180606 |
JP-2021523102-A | Spiropiperidin-based nicotinic acetylcholine receptor allosteric regulator | 20180501 |
AU-2018300043-A1 | Bicyclic ketone compounds and methods of use thereof | 20170714 |
CA-3067944-A1 | Bicyclic ketone compounds and methods of use thereof | 20170714 |
CN-110914271-A | Bicyclic ketone compounds and methods of use thereof | 20170714 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.01982740 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.01982740 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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