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| CAS No.: | 611-79-0 |
|---|---|
| Name: | 3,3'-Diaminobenzophenone |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C13H12N2O |
| Molecular Weight: | 212.251 |
| 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 |
| Solubility: | Insoluble in water |
| Appearance: | yellow acicular crystal |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 69.11000 |
| LogP: | 3.24440 |
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- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 21222-05-9
3,3'-dinitrobenzophenone
- 611-79-0
3,3'-diaminobenzophenone
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide; tin(ll) chloride at 90℃; for 0.416667h; | 91% |
| With tin(ll) chloride In ethanol at 70℃; for 0.5h; | 89% |
| With hydrogenchloride; acetic acid; tin(ll) chloride |
- 611-79-0
3,3'-diaminobenzophenone
| Conditions | Yield |
|---|---|
| With ammonium persulfate; Montmorillonite K-10 clay for 0.0666667h; microwave irradiation; | 87% |
| Conditions | Yield |
|---|---|
| Stage #1: benzophenone With dinitrogen pentoxide In dichloromethane at 30℃; for 5h; Molecular sieve; Stage #2: With hydrogen; nickel In dichloromethane under 11251.1 Torr; for 5h; Temperature; Pressure; | 83% |
| Multi-step reaction with 2 steps 1: nitric acid 2: tin; hydrochloric acid View Scheme | |
| Multi-step reaction with 2 steps 1: nitric acid 2: tin; hydrochloric acid View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 2 h / 60 °C 2: hydrogenchloride; water; tin(ll) chloride / ethyl acetate / 4 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: sulfuric acid; nitric acid / 1 h / 75 °C 2: iron; ammonium chloride / ethanol; water / 4 h / 80 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: concentrated sulfuric acid / 130 - 140 °C / Reinigung durch Behandeln mit Aceton 2: glacial acetic acid; water; chromic acid 3: tin dichloride; hydrochloric acid; glacial acetic acid View Scheme | |
| Multi-step reaction with 3 steps 1: sulfuric acid / 135 °C 2: glacial acetic acid; water; chromic acid 3: tin dichloride; hydrochloric acid View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: glacial acetic acid; water; chromic acid 2: tin dichloride; hydrochloric acid; glacial acetic acid View Scheme | |
| Multi-step reaction with 2 steps 1: glacial acetic acid; water; chromic acid 2: tin dichloride; hydrochloric acid View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: concentrated sulfuric acid / 130 - 140 °C / Reinigung durch Behandeln mit Aceton 2: glacial acetic acid; water; chromic acid 3: tin dichloride; hydrochloric acid; glacial acetic acid View Scheme | |
| Multi-step reaction with 3 steps 1: sulfuric acid / 135 °C 2: glacial acetic acid; water; chromic acid 3: tin dichloride; hydrochloric acid View Scheme |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; hydrogen; magnesium sulfate; palladium In benzene |
- 611-79-0
3,3'-diaminobenzophenone
| Conditions | Yield |
|---|---|
| With hydrogen; palladium In benzene |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; hydrogen; palladium/active carbon In 1,4-dioxane |
- 83704-08-9
3,3'-dinitro-4-bromo benzophenone
- 611-79-0
3,3'-diaminobenzophenone
| Conditions | Yield |
|---|---|
| With hydrogen; palladium/active carbon In 1,4-dioxane |
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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