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119-61-9

Basic Information
CAS No.: 119-61-9
Name: Benzophenone
Article Data: 3229
Cas Database
Molecular Structure:
Molecular Structure of 119-61-9 (Benzophenone)
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: IrritantXi,DangerousN,FlammableF HarmfulXn
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
Transport Information: N/A
PSA: 17.07000
LogP: 2.91760
Synthetic route
530-48-3

1,1-Diphenylethylene

119-61-9

benzophenone

Conditions
ConditionsYield
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%
91-01-0

1,1-Diphenylmethanol

119-61-9

benzophenone

Conditions
ConditionsYield
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%
101-81-5

Diphenylmethane

119-61-9

benzophenone

Conditions
ConditionsYield
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%
76-93-7

Benzilic acid

119-61-9

benzophenone

Conditions
ConditionsYield
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%
67-56-1

methanol

80431-43-2

2,2-Dimethyl-4,4-diphenyl-3,3-bis(trimethylsilyl)-1-oxa-2-silacyclobutan

A

119-61-9

benzophenone

B

68260-20-8

1-(Dimethylmethoxysilyl)-1,1-bis(trimethylsilyl)ethan

Conditions
ConditionsYield
In benzene at 110℃; for 40h; Rate constant; half live time;A n/a
B 100%
1013-88-3

Benzophenone imine

119-61-9

benzophenone

Conditions
ConditionsYield
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;
61666-80-6

2,2-diphenyl-1,3-benzodithiole

119-61-9

benzophenone

Conditions
ConditionsYield
With tetrafluoroboric acid; mercury(II) oxide In tetrahydrofuran for 0.166667h; Ambient temperature;100%
33735-40-9

2,2-diphenyl-1,3-oxathiolane

119-61-9

benzophenone

Conditions
ConditionsYield
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%
6317-10-8

2,2-diphenyl-1,3-dithiolane

119-61-9

benzophenone

Conditions
ConditionsYield
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%
14629-59-5

diphenylmethyl trimethylsilyl ether

119-61-9

benzophenone

Conditions
ConditionsYield
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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    Chemical Name: Benzophenone ; Chinese Supplier CAS No.: 119-61-9 Molecular Formula: C13H10O Properties: White to whitish crystal, with light odor. Soluble in alcohol, ether ,and chloroform; insoluble in water. Specification: (Q/CFH07-2001)

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    Specifications CAS No.: 119-61-9 Other Names: Diphenyl ketone; Diphenylmethanone MF: C13H10O EINECS No.: 204-337-6

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Chemistry

Molecular Structure of Benzophenone (CAS NO.119-61-9):

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

Toxicity Data With Reference

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.

Safety Profile

Hazard Codes: IrritantXi,DangerousN,HarmfulXn,FlammableF
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

Specification

  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.