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Methyl 4'-formylbiphenyl-4-carboxylate

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Name

Methyl 4'-formylbiphenyl-4-carboxylate

EINECS N/A
CAS No. 70916-89-1 Density 1.176 g/cm3
PSA 43.37000 LogP 2.95270
Solubility N/A Melting Point 112-116 °C
Formula C15H12O3 Boiling Point 398.1 °C at 760 mmHg
Molecular Weight 240.258 Flash Point 177.9 °C
Transport Information UN 3077 Appearance N/A
Safety 26-36/37/39-60-61 Risk Codes 37/38-41-50/53
Molecular Structure Molecular Structure of 70916-89-1 (4'-FORMYLBIPHENYL-4-CARBOXYLIC ACID METHYL ESTER) Hazard Symbols IrritantXi,DangerousN
Synonyms

4'-Formylbiphenyl-4-carboxylicacid methyl ester;

Article Data 7

Methyl 4'-formylbiphenyl-4-carboxylate 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

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