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| CAS No.: | 5731-15-7 |
|---|---|
| Name: | P-TERPHENYL-4-CARBOXYLIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C19H14O2 |
| Molecular Weight: | 274.31326 |
| Synonyms: | [p-Terphenyl]-4-carboxylicacid (6CI,7CI,8CI);4-Carboxy-p-terphenyl; |
| Density: | 1.18 g/cm3 |
| Melting Point: | 305 °C(dec.) |
| Boiling Point: | 495.961 °C at 760 mmHg |
| Flash Point: | 222.369 °C |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 22-36-50/53 |
| Safety: | 26-36-60-61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 37.30000 |
| LogP: | 4.71880 |
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- Total:8 Page 1 of 1 1
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Specification
This chemical is called [1,1':4',1''-Terphenyl]-4-carboxylicacid, and it can also be named as p-Terphenyl-4-carboxylic acid. With the molecular formula of C19H14O2, its molecular weight is 274.31326. The CAS registry number of this chemical is 5731-15-7, and its product categories are C13 to C42+; Carbonyl Compounds; Carboxylic Acids.
Other characteristics of the [1,1':4',1''-Terphenyl]-4-carboxylicacid can be summarised as follows: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 447; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 1229; (8)ACD/KOC (pH 7.4): 31; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 82.367 cm3; (15)Molar Volume: 232.532 cm3; (16)Polarizability: 32.653×10-24 cm3; (17)Surface Tension: 49.286 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 222.369 °C; (20)Enthalpy of Vaporization: 80.419 kJ/mol; (21)Boiling Point: 495.961 °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 very toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment, so you should avoid releasing it to the environment. It is very toxic by inhalation and irritating to the eyes. You should wear suitable protective clothing when you use it. This material and its container must be disposed of as hazardous waste. Refer to special instructions safety data sheet. Besides, 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: O=C(O)c3ccc(c2ccc(c1ccccc1)cc2)cc3
2.InChI: InChI=1/C19H14O2/c20-19(21)18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,20,21)
3.InChIKey: BJHHREPACLZKDA-UHFFFAOYAI