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| CAS No.: | 119-61-9 |
|---|---|
| Name: | Benzophenone |
| Molecular Structure: | |
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|
|
| Formula: | C13H10O |
| Molecular Weight: | 182.222 |
| Synonyms: | Methanone, diphenyl-;alpha-Oxoditane;Kayacure BP;Benzene, benzoyl-;Diphenyl ketone;Ketone, diphenyl;Diphenylketone;alpha-oxodiphenylmethane;Diphenylmethanone;Phenyl ketone;Benzophenone Flakes; |
| EINECS: | 204-337-6 |
| Density: | 1.11 g/cm3 |
| Melting Point: | 47-51 °C(lit.) |
| Boiling Point: | 305.4 °C at 760 mmHg |
| Flash Point: | 123.7 °C |
| Solubility: | insoluble (<0.1 g/100 mL at 25 °C) |
| Appearance: | Orange crystals |
| Hazard Symbols: |
 Xi, N, F
 Xn
|
| Risk Codes: | 36/37/38-52/53-50/53-67-65-62-51/53-48/20-11 |
| Safety: | 26-61-37/39-29-60-36-62-36/37-33-16-9 |
| PSA: | 17.07000 |
| LogP: | 2.91760 |
| Conditions | Yield |
|---|---|
| Stage #1: 1,1-Diphenylethylene for 0.05h; Inert atmosphere; Stage #2: With tert.-butylhydroperoxide at 102℃; for 24h; Inert atmosphere; | 100% |
| With oxygen at 110℃; for 8h; Temperature; Schlenk technique; | 99% |
| With oxygen at 110℃; for 8h; Temperature; Sealed tube; | 99% |
| Conditions | Yield |
|---|---|
| With acetone; zirconic acid In benzene at 80℃; for 8h; | 100% |
| With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 0.5h; Ambient temperature; | 100% |
| With tert.-butylhydroperoxide; polystyrene-bound phenylselenic acid In tetrachloromethane for 24h; Heating; | 100% |
| Conditions | Yield |
|---|---|
| With potassium permanganate; iron(III) chloride In acetone at -78 - 20℃; for 16h; | 100% |
| With chromyl chloride In dichloromethane at 22℃; for 0.5h; ultrasound sonication; | 99% |
| With tert.-butylhydroperoxide; C45H52CuN4O3 In decane; acetonitrile at 70℃; for 18h; | 99% |
| Conditions | Yield |
|---|---|
| With pyridine chromium peroxide In dichloromethane for 0.3h; Product distribution; Ambient temperature; effect of various chromium(VI) based oxidants; | 100% |
| In acetic acid for 0.25h; Heating; | 100% |
| With sodium hydroxide; copper(III) periodate for 0.05h; Heating; oxidative decarboxylation of α-hydroxy acids; var. α-hydroxy acids, also Cu(III) tellurate as oxidant; | 95% |
methanol
2,2-Dimethyl-4,4-diphenyl-3,3-bis(trimethylsilyl)-1-oxa-2-silacyclobutan
A
benzophenone
B
1-(Dimethylmethoxysilyl)-1,1-bis(trimethylsilyl)ethan
| Conditions | Yield |
|---|---|
| In benzene at 110℃; for 40h; Rate constant; half live time; | A n/a B 100% |
| Conditions | Yield |
|---|---|
| Stage #1: Benzophenone imine With chloro-trimethyl-silane; sodium iodide In acetonitrile at 20℃; Stage #2: With water In acetonitrile for 0.0833333h; | 100% |
| With hydrogenchloride; water at 40℃; | 86% |
| With water at 25℃; Rate constant; effect of pH on the rate constants; |
2,2-diphenyl-1,3-benzodithiole
benzophenone
| Conditions | Yield |
|---|---|
| With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran for 0.166667h; Ambient temperature; | 100% |
2,2-diphenyl-1,3-oxathiolane
benzophenone
| Conditions | Yield |
|---|---|
| With 2,2,2-trifluoroethanol; oxygen; vanadium(V) oxychloride for 5h; deprotection; Heating; | 100% |
| Stage #1: 2,2-diphenyl-1,3-oxathiolane In ethanol at 20℃; Stage #2: With water In ethanol at 20℃; | 98% |
| With silver(I) nitrite; iodine In tetrahydrofuran for 0.5h; Mechanism; Ambient temperature; other mono- and dithioacetals; | 96% |
| Conditions | Yield |
|---|---|
| With K-10 clay supported iron(III) nitrate nonahydrate In dichloromethane for 3h; Ambient temperature; with K-10 clay-supported copper(II) nitrate trihydrate; | 100% |
| With trichloroisocyanuric acid; silver nitrate In water; acetonitrile Ambient temperature; | 100% |
| With hydrogenchloride; sodium nitrate In tetrachloromethane; water for 1h; Ambient temperature; other reagent; | 100% |
diphenylmethyl trimethylsilyl ether
benzophenone
| Conditions | Yield |
|---|---|
| With 2,6-dicarboxypyridinium fluorochromate In acetonitrile at 20℃; for 0.0833333h; Reflux; | 100% |
| With nitrogen dioxide at 20℃; for 0.5h; | 100% |
| With chromium(VI) oxide; tert.-butylhydroperoxide; triphenylhydroxysilane In dichloromethane for 24h; Ambient temperature; | 99% |
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Molecular Structure of Benzophenone (CAS NO.119-61-9):
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IUPAC Name: diphenylmethanone
Molecular formula C13H10O
Molar mass 182.217 g/mol
Melting point 47.9 °C
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 17.07Å2
Index of Refraction: 1.583
Molar Refractivity: 56.04 cm3
Molar Volume: 167.5 cm3
Surface Tension: 42.1 dyne/cm
Density: 1.087 g/cm3
Flash Point: 123.7 °C
Melting point: 47-51 °C(lit.)
Enthalpy of Vaporization: 54.58 kJ/mol
Boiling Point: 305.4 °C at 760 mmHg
Vapour Pressure: 0.000823 mmHg at 25°C
InChI
InChI=1/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
Smiles
c1(C(c2ccccc2)=O)ccccc1
EINECS: 204-337-6
Water Solubility: insoluble (<0.1 g/100 mL at 25 ºC)
Merck: 14,1098
BRN: 1238185
Stability: Stable. Incompatible with strong oxidizing agents, strong reducing agents. Combustible
Product Categories: Pharmaceutical Intermediates; Additives for Plastic;Organics; Fluorescent Labels and Indicators; Analytical Chemistry; Environmental Endocrine Disruptors; Estradiol, etc. (Environmental Endocrine Disruptors); Functional Materials; Photopolymerization Initiators; Fluorescent Labels & Indicators
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 727mg/kg (727mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976. |
| mouse | LD50 | oral | 2895mg/kg (2895mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | European Journal of Toxicology and Environmental Hygiene. Vol. 9, Pg. 99, 1976. |
| rabbit | LD50 | skin | 3535mg/kg (3535mg/kg) | Food and Cosmetics Toxicology. Vol. 11, Pg. 873, 1973. | |
| rat | LD50 | oral | > 10gm/kg (10000mg/kg) | Food and Cosmetics Toxicology. Vol. 11, Pg. 873, 1973. |
Hazard Codes: 
Xi,
N,
Xn,
F
Risk Statements: 36/37/38-52/53-50/53-67-65-62-51/53-48/20-11
R36/37/38:Irritating to eyes, respiratory system and skin.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R67:Vapours may cause drowsiness and dizziness.
R65:Harmful: may cause lung damage if swallowed.
R62:Risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R11:Highly flammable.
Safety Statements: 26-61-37/39-29-60-36-62-36/37-33-16-9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S37/39:Wear suitable gloves and eye/face protection.
S29:Do not empty into drains.
S60:This material and its container must be disposed of as hazardous waste.
S36:Wear suitable protective clothing.
S62:If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
S36/37:Wear suitable protective clothing and gloves.
S33:Take precautionary measures against static discharges.
S16:Keep away from sources of ignition.
S9:Keep container in a well-ventilated place.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
F: 10
HazardClass: 9
Benzophenone , with CAS number of 119-61-9, can be called Benzene, benzoyl- ; Diphenylmethanone ; alpha-Oxodiphenylmethane ; alpha-Oxoditane ; Methanone, diphenyl- ; Ketone, diphenyl . It can be used as a photo initiator in UV-curing applications such as inks, imaging, and clear coatings in the printing industry.
