ChemicalBook--->CAS DataBase List--->611-98-3

611-98-3

611-98-3 Structure

611-98-3 Structure
IdentificationMore
[Name]

4,4'-Diaminobenzophenone
[CAS]

611-98-3
[Synonyms]

4,4'-DIAMINOBENZOPHENONE
Methanone, bis(4-aminophenyl)-
4,4'-DIAMINO-BENZOPHENON
4,4''-DIAMINOBENZOPHENONE 98+%
4,4'-Carbonylbisaniline
4,4'-Carbonyldianiline
4,4'-Oxymethylenebisaniline
[EINECS(EC#)]

251-228-4
[Molecular Formula]

C13H12N2O
[MDL Number]

MFCD00038138
[Molecular Weight]

212.25
[MOL File]

611-98-3.mol
Chemical PropertiesBack Directory
[Melting point ]

243-247 °C(lit.)
[Boiling point ]

452.8±30.0 °C(Predicted)
[density ]

1.233±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

almost transparency in Methanol
[form ]

powder to crystal
[pka]

2.81±0.10(Predicted)
[color ]

Light yellow to Brown
[BRN ]

2211861
[InChI]

InChI=1S/C13H12N2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H,14-15H2
[InChIKey]

ZLSMCQSGRWNEGX-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(N)C=C1)(C1=CC=C(N)C=C1)=O
[CAS DataBase Reference]

611-98-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Bis(4-aminophenyl)methanone(611-98-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[HS Code ]

29223990
Hazard InformationBack Directory
[Uses]

4,4′-Diaminobenzophenone (Compound 8h) is a building block. 4,4′-Diaminobenzophenone is widely used in the dye industry as an intermediate in dyes, pigments and photosensitive materials[1].
[Purification Methods]

Purify the phenone by recrystallisation from EtOH and by sublimation in high vacuum. The dihydrochloride has m 260o(dec) (from EtOH), and the thiosemicarbazone has m 207-207.5o(dec) (from aqueous EtOH). [Kuhn et al. Chem Ber 75 711 1942, Beilstein 14 IV 255.]
[References]

[1] Wyss DF, et al. Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. J Med Chem. 2004 May 6;47(10):2486-98. DOI:10.1021/jm0305117
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-Diaminobenzophenone(611-98-3)MS
4,4'-Diaminobenzophenone(611-98-3)1HNMR
4,4'-Diaminobenzophenone(611-98-3)13CNMR
4,4'-Diaminobenzophenone(611-98-3)IR1
4,4'-Diaminobenzophenone(611-98-3)IR2
4,4'-Diaminobenzophenone(611-98-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

611-98-3(sigmaaldrich)
[TCI AMERICA]

4,4'-Diaminobenzophenone,>98.0%(T)(611-98-3)
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