4-(4-Methylphenyl)benzaldehyde - CAS 36393-42-7
Catalog: |
BB022954 |
Product Name: |
4-(4-Methylphenyl)benzaldehyde |
CAS: |
36393-42-7 |
Synonyms: |
4-(4-methylphenyl)benzaldehyde |
IUPAC Name: | 4-(4-methylphenyl)benzaldehyde |
Description: | 4-(4-Methylphenyl)benzaldehyde (CAS# 36393-42-7) is a useful intermediate for organic synthesis. |
Molecular Weight: | 196.24 |
Molecular Formula: | C14H12O |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C14H12O/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-10H,1H3 |
InChI Key: | BCINBWXQYBLSKO-UHFFFAOYSA-N |
Boiling Point: | 338.3 °C at 760 mmHg |
Melting Point: | 104-108 °C |
Purity: | 95 % |
Density: | 1.074 g/cm3 |
Appearance: | White to yellow powder or crystals |
MDL: | MFCD02258938 |
LogP: | 3.47450 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110483351-A | The method for preparing thioesters by oxo thioacetic acid compound | 20190918 |
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CN-110317200-B | Pyrimidinium compounds and uses thereof | 20180328 |
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PMID | Publication Date | Title | Journal |
16838937 | 20051110 | Selective oxygenation of 4,4'-dimethylbiphenyl with molecular oxygen, catalyzed by 9-phenyl-10-methylacridinium ion via photoinduced electron transfer | The journal of physical chemistry. A |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.088815002 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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