5-Methyl-3-phenylisoxazole-4-carboxaldehyde - CAS 87967-95-1
Catalog: |
BB038704 |
Product Name: |
5-Methyl-3-phenylisoxazole-4-carboxaldehyde |
CAS: |
87967-95-1 |
Synonyms: |
5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde |
IUPAC Name: | 5-methyl-3-phenyl-1,2-oxazole-4-carbaldehyde |
Description: | 5-Methyl-3-phenylisoxazole-4-carboxaldehyde (CAS# 87967-95-1) is a useful research chemical. |
Molecular Weight: | 187.19 |
Molecular Formula: | C11H9NO2 |
Canonical SMILES: | CC1=C(C(=NO1)C2=CC=CC=C2)C=O |
InChI: | InChI=1S/C11H9NO2/c1-8-10(7-13)11(12-14-8)9-5-3-2-4-6-9/h2-7H,1H3 |
InChI Key: | SMSBKEHQYUYAHK-UHFFFAOYSA-N |
Boiling Point: | 110-112 °C |
Density: | 1.179 g/cm3 |
Appearance: | Beige powder |
MDL: | MFCD02677714 |
LogP: | 2.46250 |
GHS Hazard Statement: | H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2017145013-A1 | Dihydropteridinone derivatives and uses thereof | 20140808 |
EP-2970347-A1 | Methods for phosphine oxide reduction in catalytic wittig reactions | 20130314 |
JP-2016516683-A | A method for phosphine oxide reduction in catalytic Wittig reaction | 20130314 |
US-2016016860-A1 | Methods for phosphine oxide reduction in catalytic wittig reactions | 20130314 |
WO-2014140353-A1 | Methods for phosphine oxide reduction in catalytic wittig reactions | 20130314 |
PMID | Publication Date | Title | Journal |
15932909 | 20050801 | Discovery of substituted isoxazolecarbaldehydes as potent spermicides, acrosin inhibitors and mild anti-fungal agents | Human reproduction (Oxford, England) |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
-
Catalog: BB033577
(-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic Acid Monohydrate
Detail
-
Catalog: BB010056
(±)-cis-Cyclopentane-1,2-dicarboxylic acid
Detail
-
Catalog: BB007475
(±)-cis-Bicyclo[3.2.0]hept-2-en-6-one
Detail
-
Catalog: BB009173
(+/-)-trans-Oxirane-2,3-dicarboxylic acid
Detail
-
Catalog: BB032683
(-)-Dipivaloyl-L-tartaric Acid
Detail
-
Catalog: BB028257
(±)-2-Acetoxypropionic acid
Detail
-
Catalog: BB015442
(±)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione
Detail
-
Catalog: BB021353
(+)-O,O'-Di-p-toluoyl-D-tartaric Acid
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS