| Identification | More | [Name]
(3,4-Diaminophenyl)phenylmethanone | [CAS]
39070-63-8 | [Synonyms]
3,4-DIAMINOBENZOPHENONE
(3,4-DIAMINOPHENYL)PHENYLMETHANONE
4-BENZOYL-1,2-PHENYLENEDIAMINE
DIAMINOBENZOPHENONE-3,4
LABOTEST-BB LT00159644
3,4-Diaminodiphenylketone
4-benzoyl-o-phenylenediamine
3,4-DIAMINOBENZOPHENONE 99%
2-Amino-4-benzoylaniline
Methanone, (3,4-diaminophenyl)phenyl-
4-Benzoyl-1,2-benzenediamine | [EINECS(EC#)]
254-273-8 | [Molecular Formula]
C13H12N2O | [MDL Number]
MFCD00007727 | [Molecular Weight]
212.25 | [MOL File]
39070-63-8.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow to ochre-yellow powder | [Melting point ]
115-117 °C (lit.) | [Boiling point ]
352.09°C (rough estimate) | [density ]
1.1128 (rough estimate) | [refractive index ]
1.6920 (estimate) | [storage temp. ]
Store below +30°C. | [solubility ]
0.4g/l | [form ]
Powder | [pka]
2.96±0.10(Predicted) | [color ]
Yellow to ochre-yellow | [Water Solubility ]
410 mg/L (20 ºC) | [BRN ]
2212487 | [InChI]
InChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2 | [InChIKey]
RXCOGDYOZQGGMK-UHFFFAOYSA-N | [SMILES]
C(C1=CC=C(N)C(N)=C1)(C1=CC=CC=C1)=O | [CAS DataBase Reference]
39070-63-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [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:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [F ]
9-23 | [Autoignition Temperature]
550°C | [HS Code ]
29223900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow to ochre-yellow powder | [Uses]
3,4-Diaminobenzophenone is used in the synthesis of 2-Amino-5(6)-benzoylbenzimidazole (A593760), which is a minor urinary metabolite of Mebendazole (M200500) in man. Mebendazole impurity. | [Purification Methods]
Crystallise it from *C6H6/pet ether and sublime it in vacuo [Ayyanger et al. Org Prep Proced Int 23 627 1991]. |
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