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90-94-8

90-94-8 Structure

90-94-8 Structure
IdentificationMore
[Name]

4,4'-Bis(dimethylamino)benzophenone
[CAS]

90-94-8
[Synonyms]

4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE
BIS-DIMETHYLAMINOPHENYLMETHANONE
BIS(P-DIMETHYLAMINOPHENYL)KETONE
LABOTEST-BB LT00086928
MICHLER KETONE
MICHLERS KETONE
MICHLER'S KETONE
N,N,N',N'-TETRAMETHYL-4,4'-DIAMINOBENZOPHENONE
N,N,N,N'-TETRAMETHYL-4,4'-DIAMINOBENZOPHENONE
P,P'-TETRAMETHYLDIAMINOBENZOPHENONE
TETRAMETHYL-P,P'-DIAMINOBENZOPHENONE
(Tetramethyldiamino)benzophenone
4,4’-bis(dimethylamino)-benzophenon
4,4’-bis(n,n-dimethylamino)benzophenone
4,4’-Di(N,N-dimethylamino)benzophenone
4,4’-di(N,N-Dimethylamino)diphenylketone
4,4’-Tetramethyldiaminobenzophenone
4,4'-di(Dimethylamino)benzophenone
ai3-22412
Benzophenone, 4,4'-bis(dimethylamino)-
[EINECS(EC#)]

202-027-5
[Molecular Formula]

C17H20N2O
[MDL Number]

MFCD00008312
[Molecular Weight]

268.35
[MOL File]

90-94-8.mol
Chemical PropertiesBack Directory
[Appearance]

Michler’s ketone is a is a blue powder or white to green-colored leaflet material.
[Melting point ]

174 -176 °C(lit.)
[Boiling point ]

360 °C
[bulk density]

400kg/m3
[density ]

1.0208 (rough estimate)
[refractive index ]

1.5486 (estimate)
[Fp ]

220 °C
[storage temp. ]

Store below +30°C.
[solubility ]

ethanol: 5 mg/mL, clear
[form ]

Powder
[pka]

2.55±0.12(Predicted)
[color ]

Blue to dark blue or gray
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents, strong reducing agents.
[Water Solubility ]

400 mg/L (20 ºC)
[Merck ]

14,6177
[BRN ]

790733
[InChI]

1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3
[InChIKey]

VVBLNCFGVYUYGU-UHFFFAOYSA-N
[SMILES]

CN(C)c1ccc(cc1)C(=O)c2ccc(cc2)N(C)C
[CAS DataBase Reference]

90-94-8(CAS DataBase Reference)
[IARC]

2B (Vol. 99) 2010
[NIST Chemistry Reference]

Methanone, bis[4-(dimethylamino)phenyl]-(90-94-8)
[EPA Substance Registry System]

90-94-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Health Hazard (GHS08)
GHS05,GHS08
[Signal word ]

Danger
[Hazard statements ]

H318-H341-H350
[Precautionary statements ]

P201-P280-P305+P351+P338+P310-P308+P313
[Hazard Codes ]

T,Xi
[Risk Statements ]

R45:May cause cancer.
R41:Risk of serious damage to eyes.
R68:Possible risk of irreversible effects.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S53:Avoid exposure-obtain special instruction before use .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

DJ0250000
[Autoignition Temperature]

480 °C
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29223990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Carc. 1B
Eye Dam. 1
Muta. 2
[Safety Profile]

Confirmed human carcinogen with experimental carcinogenic and neoplastigenic data. A poison by ingestion. Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx.
[Hazardous Substances Data]

90-94-8(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: > 6400 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Methanol-->Formaldehyde-->ETHYLENE OXIDE-->N,N-Dimethylaniline-->Oxygen-->N-Methylaniline-->Chloranil
[Preparation Products]

Crystal Violet-->Basic Blue 11-->Basic Blue 26-->4,4'-Bis(dimethylamino)thiobenzophenone-->4,4'-VINYLIDENEBIS(N,N-DIMETHYLANILINE)-->4,4'-Bis(dimethylamino)benzhydrol-->ACID VIOLET 6BN-->Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(2-naphthalenylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride, disulfo deriv.-->Crystal Violet
Hazard InformationBack Directory
[General Description]

White to greenish crystalline leaflets or blue powder.
[Reactivity Profile]

MICHLER'S KETONE(90-94-8) is incompatible with strong oxidizing agents and strong reducing agents .
[Air & Water Reactions]

Insoluble in water.
[Potential Exposure]

Mutagen. Animal Carcinogen. Michler’s ketone is a dye intermediate and derivative of dimethylaniline. It is also used in antifreeze formulations, cosmetics, cleaning compounds; heat transfer fluids; as a chemical intermediate in the synthesis of at least 13 dyes and pigments, especially auramine derivatives.
[Fire Hazard]

Literature sources indicate that this chemical is combustible.
[First aid]

Skin Contact: Flood all areas of body that have contacted the substance with water. Don’t wait to remove contaminated clothing; do it under the water stream. Use soap to help assure removal. Isolate contaminated clothing when removed to prevent contact by others. Eye Contact: Remove any contact lenses at once. Immediately flush eyes well with copious quantities of water or normal saline for at least 20 30 minutes. Seek medical attention. Inhalation: Leave contaminated area immediately; breathe fresh air. Proper respiratory protection must be supplied to any rescuers. If coughing, difficult breathing or any other symptoms develop, seek medical attention at once, even if symptoms develop many hours after exposure. Ingestion: If unconscious or convulsing, do not induce vomiting or give anything by mouth. Assure that victim’s airway is open and lay him on his side with his head lower than his body and transport at once to a medical facility. If conscious and not convulsing, give a glass of water to dilute the substance, If medical advice is not readily available, do not induce vomiting, and rush the victim to the nearest medical facility.
[Shipping]

UN3143 Dyes, solid, toxic, n.o.s. or Dye intermediates, solid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poison Inhalation Hazard. UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required. UN1602 Dyes, liquid, toxic, n.o.s or Dye intermediates, liquid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials.
[Incompatibilities]

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from aldehydes, alkaline materials, strong acids, strong bases, strong reducing agents such as hydrideds and active metals. Contact with hydrogen peroxide may form heat- and shock- sensitive explosives.
[Description]

Michler's ketone is a blue powder or white togreen-colored leaflet material. Molecular weight = 268.37;Boiling point ≥360℃ (decomposition); Freezing/Meltingpoint= 172-176*C; Flash point = 220-C; Autoignitiontemperature = 480PC. Hazard Identification (based onNFPA-704 M Rating System): Health 3, Flammability 1,Reactivity 0. Insoluble in water.
[Chemical Properties]

Michler’s ketone is a is a blue powder or white to green-colored leaflet material.
[Chemical Properties]

white to light greenish crystals
[Waste Disposal]

Do not discharge into drains or sewers. Consult with environmental regulatory agencies for guidance on acceptable disposal practices. If allowed, Incineration with effluent gas scrubbing is recommended. Containers must be disposed of properly by following package label directions or by contacting your local or federal environmental control agency, or by contacting your regional EPA office.
[Uses]

In manufacture of dyes and pigments.
[Definition]

ChEBI: 4,4'-Bis(dimethylamino)benzophenone is a member of benzophenones.
[Synthesis Reference(s)]

Tetrahedron, 38, p. 1163, 1982 DOI: 10.1016/0040-4020(82)85099-0
[Hazard]

Possible carcinogen.
[Carcinogenicity]

Michler’s ketone is reasonably anticipated to be a human cagen based on sufficient evidence of carcinogenicity from stud rcinoies in experimental animals.
[storage]

Color Code—Blue: Health Hazard/Poison: Storein a secure poison location. Prior to working with thischemical you should be trained on its proper handling andstorage. Store in a refrigerator or a cool, dry place awayfrom peroxides, aldehydes, strong acids. Where possible,automatically pump liquid from drums or other storage containers to process containers. A regulated, marked areashould be established where this chemical is handled, used,or stored in compliance with OSHA Standard 1910.1045.
[Purification Methods]

Dissolve the ketone in dilute HCl, filter and precipitate it by adding ammonia (to remove water-insoluble impurities such as benzophenone). Then crystallise it from EtOH or pet ether. [Suppan J Chem Soc, Faraday Trans1 71 539 1975.] It is also purified by dissolving in *benzene, then washing with water until the aqueous phase is colourless. The *benzene is evaporated off, and the residue is recrystallised three times from *benzene and EtOH [Hoshino & Kogure J Phys Chem 72 417 1988]. [Beilstein 14 IV 255.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4,4'-Bis(dimethylamino)benzophenone(90-94-8).msds
Spectrum DetailBack Directory
[Spectrum Detail]

Michler's ketone(90-94-8)MS
Michler's ketone(90-94-8)1HNMR
Michler's ketone(90-94-8)13CNMR
Michler's ketone(90-94-8)IR1
Michler's ketone(90-94-8)IR2
Michler's ketone(90-94-8)Raman
Michler's ketone(90-94-8)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,4'-Bis(dimethylamino)benzophenone, 98%(90-94-8)
[Alfa Aesar]

Michler's Ketone, 98%(90-94-8)
[Sigma Aldrich]

90-94-8(sigmaaldrich)
[TCI AMERICA]

4,4'-Bis(dimethylamino)benzophenone,>97.0%(T)(90-94-8)
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