CAS No.221021-36-9,3'-FORMYLBIPHENYL-4-CARBOXYLIC ACID METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	221021-36-9
Name:	3'-FORMYLBIPHENYL-4-CARBOXYLIC ACID METHYL ESTER
Article Data:	4

Formula:	C₁₅H₁₂O₃
Molecular Weight:	240.258
Synonyms:	4-(3-Formylphenyl)benzoic acid methyl ester;
Density:	1.176 g/cm³
Melting Point:	97-101 °C
Boiling Point:	402.4 °C at 760 mmHg
Flash Point:	180 °C
Hazard Symbols:	Xi, N
Risk Codes:	50/53
Safety:	60-61
Transport Information:	UN 3077
PSA:	43.37000
LogP:	2.95270

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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