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CAS No.: | 134-81-6 |
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Name: | Benzil |
Article Data: | 1182 |
Molecular Structure: | |
Formula: | C14H10O2 |
Molecular Weight: | 210.232 |
Synonyms: | Diphenylethanedione;Diphenylglyoxal;Esacure KBO;NSC 220315;NSC 4041;Wy20910;Benzil;Benzil(8CI);Ethanedione, diphenyl- (9CI);1,2-Diphenylethane-1,2-dione;1,2-Diphenylethanedione;Bibenzoyl;Dibenzoyl;Diphenyl diketone;Diphenyl-a,b-diketone; |
EINECS: | 205-157-0 |
Density: | 1.165 g/cm3 |
Melting Point: | 94-95 °C(lit.) |
Boiling Point: | 347 °C at 760 mmHg |
Flash Point: | 142.559 °C |
Solubility: | Soluble in ethanol, ethyl ether, chloroform, ethyl acetate, benzene, toluene, nitrobenzene. Insoluble in water |
Appearance: | yellow crystals or powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 34.14000 |
LogP: | 2.75220 |
Conditions | Yield |
---|---|
With pyridine chromium peroxide In benzene for 0.1h; Product distribution; Heating; effect of various chromium(VI) based oxidants; | 100% |
With pyridine chromium peroxide In benzene for 0.1h; Heating; | 100% |
With 4-dimethylaminopyridine tribromide In dichloromethane for 0.25h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
With sodium periodate; sulfuric acid; C31H29Br2N3Ru*CH2Cl2 In water; acetonitrile at 25℃; for 0.5h; Inert atmosphere; Schlenk technique; | 100% |
With sodium periodate; sulfuric acid; ruthenium-carbon composite In water; acetonitrile at 25℃; for 0.5h; Catalytic behavior; Reagent/catalyst; Temperature; Time; Solvent; Green chemistry; | 100% |
With SO3-dioxane at 60℃; for 0.25h; | 99% |
1,2-diphenyl-2-thioxoethanone
benzil
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In diethyl ether for 1h; oxidation with nitric acid; | 100% |
1,2-diphenyl-2-(trimethylsilyloxy)ethanone
benzil
Conditions | Yield |
---|---|
With copper nitrate - dinitrogen tetroxide adduct In tetrachloromethane for 0.75h; Oxidation; Heating; | 100% |
With aluminium trichloride; silver bromate In acetonitrile for 0.4h; Heating; | 98% |
With Montmorillonite K10; ferric nitrate Oxidation; deprotection; Irradiation; | 95% |
(2RS)-(+/-)-2-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-1,2-diphenylethanone
benzil
Conditions | Yield |
---|---|
With copper nitrate - dinitrogen tetroxide adduct In tetrachloromethane for 1h; Oxidation; Heating; | 100% |
With N-hydroxyphthalimide; oxygen; cobalt(II) benzoate In acetonitrile at 20℃; for 9h; | 93% |
With manganese(IV) oxide; aluminium trichloride In acetonitrile for 0.333333h; Oxidation; Heating; | 40% |
A
[(6-Ph2TPA)Ni(O2CPh)]ClO4
B
phenacyl benzoate
C
carbon monoxide
D
benzil
E
benzoic acid
Conditions | Yield |
---|---|
With oxygen | A 100% B n/a C n/a D n/a E n/a |
Conditions | Yield |
---|---|
With oxygen In acetonitrile at 20℃; | A n/a B n/a C 100% D 12% E 11 mg |
1,2-diphenyl-1,2-ethanediol
benzil
Conditions | Yield |
---|---|
With Me2Se*NCS; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene 1.)1h 0 deg C, 1h room temperature, 2.) 4h room temperature; | 99% |
With octahydro-2,5-epiminopentalen-7-yloxidanyl; acetic acid; sodium nitrite In acetonitrile at 20℃; for 4h; air; | 99% |
With 9-benzyl-9-norazaadamantane N-oxyl; oxygen; acetic acid; sodium nitrite In acetonitrile at 20℃; for 4h; Catalytic behavior; Concentration; Reagent/catalyst; Solvent; Temperature; Time; | 99.3% |
benzil
Conditions | Yield |
---|---|
Stage #1: 2-bromo-2'-hydroxy-diphenyl-2-methylethanone With potassium chloride at 60 - 76℃; for 4.33h; Stage #2: With dimethyltitanocene; isopentyl butanoate for 4.5h; Temperature; | 99.3% |
Conditions | Yield |
---|---|
With hydrogen bromide; dimethyl sulfoxide at 55℃; for 24h; | 99% |
With C14H14N6O2; oxygen; sodium acetate; palladium diacetate at 120℃; under 760.051 Torr; for 48h; | 97% |
With potassium hydrogencarbonate; dimethyl sulfoxide at 80℃; | 96% |
The Benzil, with the CAS registry number 134-81-6, is also known as Diphenylethanedione. It belongs to the product categories of Pharmaceutical Intermediates; Intermediates; Functional Materials; Photopolymerization Initiators; Highly Purified Reagents; Other Categories; Zone Refined Products; Bioactive Small Molecules; Building Blocks; C13 to C14; Carbonyl Compounds; Cell Biology; Chemical Synthesis; Ketones; Organic Building Blocks. Its EINECS number is 205-157-0. This chemical's molecular formula is C14H10O2 and molecular weight is 210.23. What's more, its systematic name is Benzil. Its classification code is Skin / Eye Irritant. Benzil is commonly used as pharmaceutical intermediates, insecticide and curing agent. It is used in organic synthesis. Its main use is as a photoinitiator in polymer chemistry. It is used in the free-radical curing of polymer networks.
Physical properties of Benzil are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 218.17; (6)ACD/BCF (pH 7.4): 218.17; (7)ACD/KOC (pH 5.5): 1643.31; (8)ACD/KOC (pH 7.4): 1643.31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 34.14 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 61.247 cm3; (15)Molar Volume: 180.379 cm3; (16)Polarizability: 24.28×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.165 g/cm3; (19)Flash Point: 142.559 °C; (20)Enthalpy of Vaporization: 59.123 kJ/mol; (21)Boiling Point: 347 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by cis-1,2-diphenyl-ethene at the temperature of 120 °C. This reaction will need reagent benzeneseleninic anhydride and solvent chlorobenzene with the reaction time of 8 hours. The yield is about 89%.
Uses of Benzil: it can be used to produce 2-hydroxy-1,2-diphenyl-pent-4-en-1-one at the ambient temperature. It will need solvent acetonitrile with the reaction time of 5 hours. The yield is about 94%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C(=O)C(=O)c2ccccc2
(2)Std. InChI: InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
(3)Std. InChIKey: WURBFLDFSFBTLW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 3gm/kg (3000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 15, Pg. 359, 1984. |