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| CAS No.: | 70916-89-1 |
|---|---|
| Name: | 4'-FORMYLBIPHENYL-4-CARBOXYLIC ACID METHYL ESTER |
| Article Data: | 7 |
| Molecular Structure: | |
|
|
|
| Formula: | C15H12O3 |
| Molecular Weight: | 240.258 |
| Synonyms: | 4'-Formylbiphenyl-4-carboxylicacid methyl ester; |
| Density: | 1.176 g/cm3 |
| Melting Point: | 112-116 °C |
| Boiling Point: | 398.1 °C at 760 mmHg |
| Flash Point: | 177.9 °C |
| Hazard Symbols: |
 Xi, N
|
| Risk Codes: | 37/38-41-50/53 |
| Safety: | 26-36/37/39-60-61 |
| Transport Information: | UN 3077 |
| PSA: | 43.37000 |
| LogP: | 2.95270 |
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Specification
This chemical is called Methyl 4'-formylbiphenyl-4-carboxylate, and it's also named as 4'-Formylbiphenyl-4-carboxylic acid methyl ester. With the molecular formula of C15H12O3, its molecular weight is 240.25. The CAS registry number of this chemical is 70916-89-1.
Other characteristics of the Methyl 4'-formylbiphenyl-4-carboxylate can be summarised as followings: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 69.37 cm3; (9)Molar Volume: 204.2 cm3; (10)Polarizability: 27.5×10-24cm3; (11)Surface Tension: 45.4 dyne/cm; (12)Density: 1.176 g/cm3; (13)Flash Point: 177.9 °C; (14)Enthalpy of Vaporization: 64.86 kJ/mol; (15)Boiling Point: 398.1 °C at 760 mmHg; (16)Vapour Pressure: 1.51E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. In addition, it's harmful if swallowed. Refer to special instructions / safety data sheets. Its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1ccc(cc1)c2ccc(cc2)C(=O)OC
2.InChI: InChI=1/C15H12O3/c1-18-15(17)14-8-6-13(7-9-14)12-4-2-11(10-16)3-5-12/h2-10H,1H3
3.InChIKey: URINKTWOCVLGGR-UHFFFAOYAV