4-(tert-Butyloxy)benzaldehyde - CAS 57699-45-3
Catalog: |
BB029795 |
Product Name: |
4-(tert-Butyloxy)benzaldehyde |
CAS: |
57699-45-3 |
Synonyms: |
4-[(2-methylpropan-2-yl)oxy]benzaldehyde |
IUPAC Name: | 4-[(2-methylpropan-2-yl)oxy]benzaldehyde |
Description: | 4-(tert-Butyloxy)benzaldehyde (CAS# 57699-45-3) is a useful research chemical. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC(C)(C)OC1=CC=C(C=C1)C=O |
InChI: | InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3 |
InChI Key: | VWSFZYXXQDKXKQ-UHFFFAOYSA-N |
Boiling Point: | 274.1 ℃ at 760 mmHg, 87-92 ℃ 1,5mm |
Purity: | 95 % |
Density: | 1.023 g/cm3 |
Appearance: | Clear yellow-green liquid |
MDL: | MFCD00040800 |
LogP: | 2.67640 |
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-2021161511-A1 | Compound and drug containing same | 20200214 |
JP-2020125464-A | Composition containing bisphenol compound | 20190201 |
JP-6679059-B1 | Compounds and methods for the treatment of rabies | 20180816 |
WO-2020036211-A1 | Compound for treatment of rabies and method for treatment of rabies | 20180816 |
JP-2020109104-A | Compounds and methods for the treatment of rabies | 20180816 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
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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