2,5-Bis(trifluoromethyl)benzaldehyde - CAS 395-64-2
Catalog: |
BB024036 |
Product Name: |
2,5-Bis(trifluoromethyl)benzaldehyde |
CAS: |
395-64-2 |
Synonyms: |
Benzaldehyde, 2,5-bis(trifluoromethyl)- |
IUPAC Name: | 2,5-bis(trifluoromethyl)benzaldehyde |
Molecular Weight: | 242.12 |
Molecular Formula: | C9H4F6O |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C=O)C(F)(F)F |
InChI: | InChI=1S/C9H4F6O/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-4H |
InChI Key: | PICGJIQKPLBIES-UHFFFAOYSA-N |
Boiling Point: | 170-172°C |
Purity: | ≥95% |
Density: | 1.440±0.06 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00674087 |
LogP: | 3.53670 |
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 |
US-10323038-B2 | Pyrazole compounds and methods of making and using same | 20151120 |
US-2018327416-A1 | Pyrazole compounds and methods of making and using same | 20151120 |
WO-2017087863-A1 | Pyrazole compounds and methods of making and using same | 20151120 |
JP-2017102420-A | Resist underlayer film material and pattern forming method | 20150518 |
JP-6502885-B2 | Resist underlayer film material and pattern formation method | 20150518 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.01663372 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.01663372 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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