4-Phenyltoluene - CAS 644-08-6
Catalog: |
BB032461 |
Product Name: |
4-Phenyltoluene |
CAS: |
644-08-6 |
Synonyms: |
1-methyl-4-phenylbenzene |
IUPAC Name: | 1-methyl-4-phenylbenzene |
Description: | 4-Phenyltoluene (CAS# 644-08-6) is used as a flavoring ingredient in the food industry. It also functions as a reagent used in organic and pharmaceutical synthesis. |
Molecular Weight: | 168.23 |
Molecular Formula: | C13H12 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CC=CC=C2 |
InChI: | InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3 |
InChI Key: | ZZLCFHIKESPLTH-UHFFFAOYSA-N |
Boiling Point: | 267-268 °C |
Melting Point: | 49 - 50 °C |
Density: | 1.015 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00008544 |
LogP: | 3.66200 |
Vapor Pressure: | 0.00642 [mmHg] |
Publication Number | Title | Priority Date |
CN-113061726-A | Method for safely and efficiently recycling lithium from waste batteries | 20210315 |
CN-113045373-A | Synthesis method of 4- (3-butene-1-yl) -4 '-alkyl-1, 1' -biphenyl liquid crystal monomer | 20210312 |
CN-112939716-A | Preparation method of biphenyl compound | 20210201 |
CN-112886000-A | Pre-lithiated silica negative electrode material and preparation method and application thereof | 20210105 |
CN-112619688-A | Preparation method and application of catalyst for one-step methylation of synthesis gas and biphenyl/4-methyl biphenyl | 20201231 |
PMID | Publication Date | Title | Journal |
21107368 | 20101201 | An efficient organocatalytic method for constructing biaryls through aromatic C-H activation | Nature chemistry |
20656494 | 20100815 | Characterization of new PPARgamma agonists: benzimidazole derivatives-importance of positions 5 and 6, and computational studies on the binding mode | Bioorganic & medicinal chemistry |
19902937 | 20091201 | Structure-activity relationships for the degradation reaction of 1-beta-O-acyl glucuronides. Part 3: Electronic and steric descriptors predicting the reactivity of aralkyl carboxylic acid 1-beta-O-acyl glucuronides | Chemical research in toxicology |
19968096 | 20091015 | [GC x GC measurements of atmospheric aromatic compounds near a busy high-speed road in Beijing] | Huan jing ke xue= Huanjing kexue |
19193390 | 20090301 | Pyrolysis of permethrin and formation of precursors of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) under non-oxidative conditions | Chemosphere |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.093900383 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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