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| CAS No.: | 54574-82-2 |
|---|---|
| Name: | 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C22H27NO4 |
| Molecular Weight: | 369.461 |
| Synonyms: | 2-(2-Hydroxy-4-dibutylaminobenzoyl)benzoicacid;2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid;4-(dibutylamino)-2-hydroxy-2'-carboxybenzophenone;4-N,N-Dibutylamino-2-hydroxy-2'-carboxybenzophenone;4'-(Dibutylamino)-2'-hydroxybenzophenone-2-carboxylic acid;F 8;F 8 (dye); |
| EINECS: | 410-410-5 |
| Density: | 1.17 g/cm3 |
| Melting Point: | 190-193 °C |
| Boiling Point: | 570.2 °C at 760 mmHg |
| Flash Point: | 298.6 °C |
| Hazard Symbols: | R52/53:; |
| Risk Codes: | 52/53 |
| Safety: | 61 |
| PSA: | 77.84000 |
| LogP: | 4.72800 |
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Specification
This chemical is called Benzoic acid, 2-[4-(dibutylamino)-2-hydroxybenzoyl]-, and its CAS registry number is 54574-82-2. With the molecular formula of C22H27NO4, its product categories are Intermediates of Dyes and Pigments; Organic acids; C13 to C42+; Carbonyl Compounds; Carboxylic Acids. It's often used as Thermal dyeing. In addition, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the Benzoic acid, 2-[4-(dibutylamino)-2-hydroxybenzoyl]- can be summarised as followings: (1)ACD/LogP: 6.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.96; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 186.73; (6)ACD/BCF (pH 7.4): 16.3; (7)ACD/KOC (pH 5.5): 363.9; (8)ACD/KOC (pH 7.4): 31.76; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 106.96 cm3; (15)Molar Volume: 315.5 cm3; (16)Polarizability: 42.4×10-24cm3; (17)Surface Tension: 51.3 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 298.6 °C; (20)Enthalpy of Vaporization: 89.97 kJ/mol; (21)Boiling Point: 570.2 °C at 760 mmHg; (22)Vapour Pressure: 7.71E-14 mmHg at 25°C.
Production method of this chemical: The Benzoic acid, 2-[4-(dibutylamino)-2-hydroxybenzoyl]- could be obtained by the reactants of (4-methoxy-2-methyl-phenyl)-phenyl-amine and 2-(4-dibutylamino-2-hydroxy-benzoyl)-benzoic acid. This reaction needs the reagents of conc. sulfuric acid, aq. sodium hydroxide , and the solvent of toluene. The yield is 93 %.
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When you are using this chemical, please be cautious about it as the following: This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C22H27NO4/c1-3-5-13-23(14-6-4-2)16-11-12-19(20(24)15-16)21(25)17-9-7-8-10-18(17)22(26)27/h7-12,15,24H,3-6,13-14H2,1-2H3,(H,26,27)
2.Smiles: CCCCN(CCCC)c1cc(c(cc1)C(=O)c1c(cccc1)C(O)=O)O