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[1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl-, methyl ester

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Name

[1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl-, methyl ester

EINECS N/A
CAS No. 221021-36-9 Density 1.176 g/cm3
PSA 43.37000 LogP 2.95270
Solubility N/A Melting Point 97-101 °C
Formula C15H12O3 Boiling Point 402.4 °C at 760 mmHg
Molecular Weight 240.258 Flash Point 180 °C
Transport Information UN 3077 Appearance N/A
Safety 60-61 Risk Codes 50/53
Molecular Structure Molecular Structure of 221021-36-9 (3'-FORMYLBIPHENYL-4-CARBOXYLIC ACID METHYL ESTER) Hazard Symbols IrritantXi, DangerousN
Synonyms

4-(3-Formylphenyl)benzoic acid methyl ester;

Article Data 4

[1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl-, methyl ester Specification

The [1, 1'-Biphenyl]-4-carboxylicacid, 3'-formyl-, methyl ester, with the CAS registry number of 221021-36-9, is also known as 4-(3-Formylphenyl)benzoic acid methyl ester. This chemical's molecular formula is C15H12O3 and molecular weight is 240.25. What's more, its IUPAC name is Methyl 4-(3-formylphenyl)benzoate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from contact with oxidant.

Physical properties about [1, 1'-Biphenyl]-4-carboxylicacid, 3'-formyl-, methyl ester are: (1)ACD/LogP: 4.08; (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: 27.5×10-24 cm3; (11)Surface Tension: 45.4 dyne/cm; (12)Density: 1.176 g/cm3; (13)Flash Point: 180 °C; (14)Enthalpy of Vaporization: 65.36 kJ/mol; (15)Boiling Point: 402.4 °C at 760 mmHg; (16)Vapour Pressure: 1.1E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: this chemical may cause inflammation to the skin or other mucous membranes. Besides, it may present an immediate or delayed danger to one or more components of the environment. And this material and its container must be disposed of as hazardous waste.

You can still convert the following data into molecular structure:
(1) SMILES: O=C(OC)c1ccc(cc1)c2cccc(c2)C=O
(2) InChI: InChI=1/C15H12O3/c1-18-15(17)13-7-5-12(6-8-13)14-4-2-3-11(9-14)10-16/h2-10H,1H3
(3) InChIKey: AQDLVJIWBSWMFZ-UHFFFAOYAK

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