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| CAS No.: | 59662-48-5 |
|---|---|
| Name: | 4-N-HEXYLBIPHENYL-4'-CARBOXYLIC ACID |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C19H22O2 |
| Molecular Weight: | 282.38 |
| Synonyms: | 4-(4'-Hexylphenyl)benzoicacid;4-Hexylbiphenyl-4'-carboxylic acid;4'-Hexylbiphenyl-4-carboxylic acid;4-N-Hexylbiphenyl-4'-carboxylic acid;4-Hexyl-4'-biphenylcarboxylic Acid;Bipheny 4-N-Hexyl-4'-carboxylic acid; |
| Density: | 1.061 g/cm3 |
| Melting Point: | 222-224 °C |
| Boiling Point: | 437.746 °C at 760 mmHg |
| Flash Point: | 205.089 °C |
| Appearance: | crystalline powder |
| Risk Codes: | 20/21-42/43-65-36/37/38 |
| Safety: | 26-36/37/39-37 |
| PSA: | 37.30000 |
| LogP: | 5.17460 |
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- Total:19 Page 1 of 1 1
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Specification
This chemical is called [1,1'-Biphenyl]-4-carboxylicacid, 4'-hexyl-, and it can also be named as 4'-Hexylbiphenyl-4-carboxylic acid. With the molecular formula of C19H22O2, its molecular weight is 282.38. The CAS registry number of this chemical is 59662-48-5, and its product categories are Biphenyl & Diphenyl ether; Biphenyls (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Additionally, this chemical should be stored in the closed container in the cool and dry place.
Other characteristics of the [1,1'-Biphenyl]-4-carboxylicacid, 4'-hexyl- can be summarised as follows: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 5037; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 6698; (8)ACD/KOC (pH 7.4): 179; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.559 ; (14)Molar Refractivity: 85.856 cm3; (15)Molar Volume: 266.092 cm3; (16)Polarizability: 34.036×10-24 cm3; (17)Surface Tension: 42.272 dyne/cm; (18)Density: 1.061 g/cm3; (19)Flash Point: 205.089 °C; (20)Enthalpy of Vaporization: 73.192 kJ/mol; (21)Boiling Point: 437.746 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as follows: This chemical is harmful by inhalation and in contact with skin. It may cause sensitization by inhalation and by skin contact. It may cause lung damage if swallowed. It is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c1ccc(cc1)c2ccc(CCCCCC)cc2
2.InChI: InChI=1/C19H22O2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H,20,21)
3.InChIKey: ROJCBWVSXWIGAL-UHFFFAOYAJ