Basic information
- Name:
Methanone,bis(3-aminophenyl)-
- Superlist Name:
- 3,3'-Diaminobenzophenone
- CAS No.:
611-79-0
- Molecular Structure:
- Formula:
- C13H12N2O
- Molecular Weight:
- 212.2472
- Synonyms:
- Benzophenone,3,3'-diamino- (6CI,7CI,8CI);3,3'-Diaminobenzophenone;NSC 113058;m,m'-Diaminobenzophenone;bis(3-aminophenyl)methanone;3,3'-Diaminobenzophenone;Bis(3-aminophenyl)methanon;Bis(3-aminophenyl)methanone;Methanone, bis(3-aminophenyl)-;
- EINECS:
- 210-281-3
- Density:
- 1.233 g/cm3
- Melting Point:
- 150-151 °C
- Boiling Point:
- 469.4 °C at 760 mmHg
- Flash Point:
- 237.7 °C
- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The 3,3'-Diaminobenzophenone, with the CAS registry number 611-79-0 and EINECS registry number 210-281-3, has the systematic name of bis(3-aminophenyl)methanone. And the molecular formula of this chemical is C13H12N2O. It belongs to the following product categories: Benzophenones (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research.
The physical properties of 3,3'-Diaminobenzophenone are as following: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.63; (6)ACD/BCF (pH 7.4): 16.83; (7)ACD/KOC (pH 5.5): 259.41; (8)ACD/KOC (pH 7.4): 262.55; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 64.51 cm3; (15)Molar Volume: 172.1 cm3; (16)Polarizability: 25.57×10-24cm3; (17)Surface Tension: 59.7 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 237.7 °C; (20)Enthalpy of Vaporization: 73.18 kJ/mol; (21)Boiling Point: 469.4 °C at 760 mmHg; (22)Vapour Pressure: 5.51E-09 mmHg at 25°C.
Preparation of 3,3'-Diaminobenzophenone: It can be prepared by 3,3'-dinitro-benzophenone. The reaction will need reagent alcoholic ammonium sulfide.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(N)ccc1)c2cccc(N)c2
(2)InChI: InChI=1/C13H12N2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H,14-15H2
(3)InChIKey: TUQQUUXMCKXGDI-UHFFFAOYAF
