3-(Difluoromethoxy)benzaldehyde - CAS 85684-61-3
Catalog: |
BB037682 |
Product Name: |
3-(Difluoromethoxy)benzaldehyde |
CAS: |
85684-61-3 |
Synonyms: |
3-(difluoromethoxy)benzaldehyde; 3-(difluoromethoxy)benzaldehyde |
IUPAC Name: | 3-(difluoromethoxy)benzaldehyde |
Description: | 3-(Difluoromethoxy)benzaldehyde (CAS# 85684-61-3) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)F)C=O |
InChI: | InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-5,8H |
InChI Key: | HFIUSWPRDIPIPN-UHFFFAOYSA-N |
Boiling Point: | 80 °C (0.3 torr) |
Density: | 1.3 g/cm3 |
Appearance: | Pale yellow liquid |
MDL: | MFCD00236222 |
LogP: | 2.10050 |
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-2021032196-A1 | Alcohol derivatives as kv7 potassium channel openers | 20190802 |
WO-2021023616-A1 | Alcohol derivatives as kv7 potassium channel openers for use in epilepsy or seizures | 20190802 |
WO-2021023617-A1 | Alcohol derivatives as kv7 potassium channel openers | 20190802 |
WO-2020153433-A1 | Substituent-including urea compound | 20190124 |
TW-202043239-A | Urea compounds with substituents | 20190124 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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