4-(Difluoromethoxy)benzaldehyde - CAS 73960-07-3
Catalog: |
BB034961 |
Product Name: |
4-(Difluoromethoxy)benzaldehyde |
CAS: |
73960-07-3 |
Synonyms: |
4-(difluoromethoxy)benzaldehyde |
IUPAC Name: | 4-(difluoromethoxy)benzaldehyde |
Description: | 4-(Difluoromethoxy)benzaldehyde (CAS# 73960-07-3) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | C1=CC(=CC=C1C=O)OC(F)F |
InChI: | InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H |
InChI Key: | ZWCXOJYJJINQGU-UHFFFAOYSA-N |
Boiling Point: | 222 °C |
Purity: | 98 % |
Density: | 1.302 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Room temperature. |
MDL: | MFCD00042252 |
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 |
CN-112321440-A | Amino phenyl ketone compound and preparation method and application thereof | 20200930 |
CN-112321440-B | Amino phenyl ketone compound and preparation method and application thereof | 20200930 |
CN-113072521-A | ROR gamma t inhibitor and application thereof in medicine | 20200106 |
CN-113072542-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
WO-2021139595-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
Complexity: | 142 |
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: | 2.7 |
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