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| CAS No.: | 205871-52-9 |
|---|---|
| Name: | 2'-FORMYL-BIPHENYL-3-CARBOXYLIC ACID |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C14H10O3 |
| Molecular Weight: | 226.232 |
| Synonyms: | 2'-Formylbiphenyl-3-carboxylicacid;2'-Formyl-biphenyl-3-carboxylic acid;2'-Formyl-[1,1'-biphenyl]-3-carboxylic acid; |
| Density: | 1.264 g/cm3 |
| Boiling Point: | 462.9 °C at 760 mmHg |
| Flash Point: | 247.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 54.37000 |
| LogP: | 2.86430 |
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Specification
This chemical is called [1,1'-Biphenyl]-3-carboxylicacid, 2'-formyl-, and it can also be named as 2'-Formyl-biphenyl-3-carboxylic acid. With the molecular formula of C14H10O3, its molecular weight is 226.23. The CAS registry number of this chemical is 205871-52-9, and its systematic name is 2'-formylbiphenyl-3-carboxylic acid.
Other characteristics of the [1,1'-Biphenyl]-3-carboxylicacid, 2'-formyl- can be summarised as follows: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 3.81; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35.38; (8)ACD/KOC (pH 7.4): 1.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 64.52 cm3; (15)Molar Volume: 178.9 cm3; (16)Polarizability: 25.58×10-24 cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 247.9 °C; (20)Enthalpy of Vaporization: 76.29 kJ/mol; (21)Boiling Point: 462.9 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-09 mmHg at 25°C.
When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. 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)c1cc(ccc1)c2ccccc2C=O
2.InChI: InChI=1/C14H10O3/c15-9-12-4-1-2-7-13(12)10-5-3-6-11(8-10)14(16)17/h1-9H,(H,16,17)
3.InChIKey: NWVOXGWJNSOFTE-UHFFFAOYAY