Products Categories
| CAS No.: | 947-91-1 |
|---|---|
| Name: | DIPHENYLACETALDEHYDE |
| Article Data: | 245 |
| Molecular Structure: | |
|
|
|
| Formula: | C14H12O |
| Molecular Weight: | 196.249 |
| Synonyms: | Acetaldehyde,diphenyl- (6CI,7CI,8CI);2,2-Diphenylacetaldehyde;2,2-Diphenylethanal;Diphenylacetaldehyde;NSC 21645;a,a-Diphenylacetaldehyde;a-Phenylbenzeneacetaldehyde; |
| EINECS: | 213-433-7 |
| Density: | 1.069 g/cm3 |
| Melting Point: | 50 °C |
| Boiling Point: | 312.6 °C at 760 mmHg |
| Flash Point: | 160.6 °C |
| Appearance: | Clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xi
|
| Safety: | 23-24/25 |
| PSA: | 17.07000 |
| LogP: | 3.01740 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 960294-15-95-BROMOISOQUINOLIN-1-AMINE
- 960294-12-6tert-Butyl 2-(2-chloro-ethyl)-2-cyanopyrrolidine-1-carboxylate
- 98020-47-46-Amino-5-nitro-2-thio-uracil
- 952652-79-8Valsartan n-Propyl
- 97271-97-12-AMINO-3-NITRO-BENZALDEHYDE
| Conditions | Yield |
|---|---|
| With C36H54IrNP(1+)*C32H12BF24(1-) In tetrahydrofuran at 23 - 100℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube; | 99% |
| With rhenium(I) pentacarbonyl bromide In monoethylene glycol diethyl ether at 80℃; for 1h; Meinwald Rearrangement; Inert atmosphere; chemoselective reaction; | 93% |
| With indium(III) chloride In tetrahydrofuran at 25℃; for 0.25h; Rearrangement; | 90% |
| Conditions | Yield |
|---|---|
| With erbium(III) triflate In dichloromethane at 20℃; for 0.75h; | 99% |
| With trimethylaluminum; 1,3-bis(3-t-butyl-5-methylsalicyl)benzene In dichloromethane Ambient temperature; | 98% |
| With copper(II) tetrafluoroborate hydrate In dichloromethane for 1.5h; Meinwald rearrangement; Reflux; regioselective reaction; | 95% |
| Conditions | Yield |
|---|---|
| With diethylzinc; trifluoroacetic acid In dichloromethane at 0℃; for 0.166667h; Inert atmosphere; | 99% |
- 492-70-6, 655-48-1, 2325-10-2, 38270-73-4, 52340-78-0, 579-43-1
1,2-diphenyl-1,2-ethanediol
- 947-91-1
Diphenylacetaldehyde
| Conditions | Yield |
|---|---|
| With KSF clay Irradiation; microwave irradiation; | 98% |
| With poly(3,4-ethylenedioxythiophene) In toluene Reflux; Inert atmosphere; | 88% |
| With USY-6 molecular sieve In toluene at 110℃; for 5h; Pinacol Rearrangement; | 88.6% |
- 58176-63-9
1,2-diphenyl-2-methoxyethanol
- 947-91-1
Diphenylacetaldehyde
| Conditions | Yield |
|---|---|
| With hydrogenchloride; trifluoroacetic acid at 70℃; for 0.666667h; | 98% |
| Conditions | Yield |
|---|---|
| With gold(III) chloride; silver hexafluoroantimonate In 1,4-dioxane at 20℃; for 0.0833333h; regioselective reaction; | 98% |
| With methylaluminium bis(4-bromo-2,6-di-tert.-butylphenoxide) In dichloromethane at -20℃; for 0.3h; | 95% |
| copper(I) tetrafluoroborate In dichloromethane for 1.5h; Meinwald rearrangement reaction; Heating; | 95% |
| With bismuth(lll) trifluoromethanesulfonate at 20℃; for 0.0833333h; Reagent/catalyst; Time; Schlenk technique; Sonication; Ionic liquid; Green chemistry; regioselective reaction; | 80% |
| With mesoporous silica-supported Er(III) catalyst In toluene at 100℃; for 4h; |
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature; | 98% |
- 947-91-1
Diphenylacetaldehyde
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature; | 98% |
| Conditions | Yield |
|---|---|
| cyclopentadienyldicarbonyl(tetrahydrofuran)iron(II) tetrafluoroborate In dichloromethane-d2 for 3h; Isomerization; | 98% |
| With <(η5-C5H5)Fe(CO)2(THF)>+- In dichloromethane for 3h; Ambient temperature; | 93% |
| With bismuth oxide perchlorate In dichloromethane at 20℃; for 0.416667h; Rearrangement; | 90% |
| Conditions | Yield |
|---|---|
| With gold(III) chloride; silver hexafluoroantimonate In 1,4-dioxane at 20℃; for 0.0833333h; regioselective reaction; | A 11 %Spectr. B 98% |
| With (5,10,15,20-tetraphenylporphyrinato-κ4N)(trifluoromethylsulfonate)iron(III) In 1,2-dichloro-ethane at 83℃; for 1h; Inert atmosphere; | A 23% B 73% |
| With bismuth(lll) trifluoromethanesulfonate In dichloromethane for 0.5h; | A n/a B 92 % Spectr. |
- 104-06-3Acetamide,N-[4-[[2-(aminothioxomethyl)hydrazinylidene]methyl]phenyl]-
- 387-46-2Benzaldehyde,2,6-dihydroxy-
- 58-22-0Testosterone
- 155206-00-1Bimatoprost
- 497-76-7Arbutin
- 13463-41-7Zinc pyrithione
- 54965-21-8Albendazole
- 148-79-8Thiabendazole
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The IUPAC name of this chemical is 2,2-diphenylacetaldehyde. With the CAS registry number 947-91-1, it is also named as alpha-Phenylbenzeneacetaldehyde. The product's categories are Aldehydes; C10 to C21; Carbonyl Compounds. It is clear colorless to pale yellow liquid which is stable under normal temperature and pressure. When use it, people should not breathe vapour and avoid contact with skin and eyes. Additioanally, this chemical should be sealed in the container which is filled with inert gas and stored in the cool and dry place.
The other characteristics of Diphenylacetaldehyde can be summarized as: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 360.96; (6)ACD/BCF (pH 7.4): 360.96; (7)ACD/KOC (pH 5.5): 2356.31; (8)ACD/KOC (pH 7.4): 2356.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.572; (13)Molar Refractivity: 60.38 cm3; (14)Molar Volume: 183.4 cm3; (15)Polarizability: 23.94×10-24 cm3; (16)Surface Tension: 41.5 dyne/cm; (17)Enthalpy of Vaporization: 55.36 kJ/mol; (18)Vapour Pressure: 0.000523 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Tautomer Count: 2; (21)Exact Mass: 196.088815; (22)MonoIsotopic Mass: 196.088815; (23)Topological Polar Surface Area: 17.1; (24)Heavy Atom Count: 15; (25)Complexity: 170.
Preparation of Diphenylacetaldehyde: It can be obtained by 2,2-diphenyl-oxirane. This reaction needs reagents ether BF3 and diethyl ether.
.gif)
Uses of Diphenylacetaldehyde: It can react with acetic acid anhydride to get acetic acid-(2,2-diphenyl-vinyl ester). This reaction needs reagent sodium acetate.
.gif)
People can use the following data to convert to the molecule structure.
1. SMILES:O=CC(c1ccccc1)c2ccccc2
2. InChI:InChI=1/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
3. InChIKey:HLLGFGBLKOIZOM-UHFFFAOYAO
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02088, |