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| CAS No.: | 90-93-7 |
|---|---|
| Name: | 4,4'-Bis(diethylamino) benzophenone |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C21H28N2O |
| Molecular Weight: | 324.466 |
| Synonyms: | Benzophenone,4,4'-bis(diethylamino)- (6CI,7CI,8CI);4,4'-(Tetraethyldiamino)benzophenone;4,4'-Bis(N,N-diethylamino)benzophenone;4,4'-Bis(diethylamine)benzophenone;4,4'-Bis(diethylamino)benzophenone;4,4'-Bis(diethylamino)diphenyl ketone;4,4'-Diethylaminobenzophenone;EAB (benzophenone);EAB-SS;EABF;EthylMichler ketone;Michler's ethyl ketone;N,N,N',N'-Tetraethyl-4,4'-diaminobenzophenone;NSC 36365;Narucure CS;p,p'-Bis(diethylamino)benzophenone;p,p'-Tetraethyldiaminobenzophenone; |
| EINECS: | 202-025-4 |
| Density: | 1.048 g/cm3 |
| Melting Point: | 89-92 °C(lit.) |
| Boiling Point: | 475.7 °C at 760 mmHg |
| Flash Point: | 193.6 °C |
| Solubility: | insoluble in water |
| Appearance: | Yellow to yellow-green crystalline granules |
| Hazard Symbols: |
 Xi,  N
|
| Risk Codes: | 36/37/38-50/53 |
| Safety: | 26-60-61-36-24/25 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 23.55000 |
| LogP: | 4.61000 |
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Specification
The Methanone,bis[4-(diethylamino)phenyl]-, with its CAS registry number 90-93-7, has the IUPAC name of bis[4-(diethylamino)phenyl]methanone. For being a kind of yellow to yellow-green crystalline granules, it is sensitive to light and is insoluble in water.
The physical properties of this chemical are as below: (1)ACD/LogP: 5.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.98; (4)ACD/LogD (pH 7.4): 5.99; (5)ACD/BCF (pH 5.5): 20264.88; (6)ACD/BCF (pH 7.4): 21132.21; (7)ACD/KOC (pH 5.5): 41601.93; (8)ACD/KOC (pH 7.4): 43382.47; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 23.55; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 103.2 cm3; (15)Molar Volume: 309.5 cm3; (16)Polarizability: 40.91×10-24 cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.048 g/cm3; (19)Flash Point: 193.6 °C; (20)Enthalpy of Vaporization: 73.93 kJ/mol; (21)Boiling Point: 475.7 °C at 760 mmHg; (22)Vapour Pressure: 3.25E-09 mmHg at 25°C; (23)Exact Mass: 324.220164; (24)MonoIsotopic Mass: 324.220164; (25)Topological Polar Surface Area: 23.6; (26)Heavy Atom Count: 24; (27)Complexity: 326.
Use of this chemical: Methanone,bis[4-(diethylamino)phenyl]- could react with 3-dimethylaminophenyl-lithium to produce bis-(4-diethylamino-phenyl)-(3-dimethylamino-phenyl)-methanol. This reaction happens in the presence of the solvent of diethyl ether and it requires the reation time of 2 hours.
When you are dealing with this chemical, you should be very cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is dangerous for the environment which may present an immediate or delayed danger to one or more components of the environment. For being very toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment.
Therefore, you should take the following instructions. Wear suitable protective clothing and then try to avoid contacting with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this material and its container must be disposed of as hazardous waste. What's more, avoid releasing to the environment and then you could refer to special instructions / safety data sheets.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC)CC
(2)InChI: InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3
(3)InChIKey: VYHBFRJRBHMIQZ-UHFFFAOYSA-N