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CAS Number: 49742-56-5
methyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate

Structure

methyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate
Name: methyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate
Synonyms:
General Information
Product Number: 49742565

CAS Registry Number: 49742-56-5

Name:

[1,​1'-​Biphenyl]​-​4-​carboxylic acid, 4'-​methyl-​, methyl ester
Methyl 4-​(4-​methylphenyl)​benzoate; Methyl 4-​(p-​tolyl)​benzoate; Methyl 4'-​methyl-​1,​1'-​biphenyl-​4-​carboxylate; Methyl 4'-​methylbiphenyl-​4-​carboxylate 

 

Chemical Formula: C15H14O2
Exact Mass: 226.10
Molecular Weight: 226.27
m/z: 226.10 (100.0%), 227.10 (16.3%), 228.11 (1.3%)
Elemental Analysis: C, 79.62; H, 6.24; O, 14.14

 

InChI: InChI=1S/C15H14O2/c1-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17-2/h3-10H,1-2H3
InChIKey: NSUWJKRQGXBISO-UHFFFAOYSA-N
Canonical SMILES : CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC

 

 

Thermal Properties Value Condition Note
Melting Point 119.3 °C   (5)CAS
Melting Point 115-116 °C   (10)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
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  12. (12) Zhao, Yu-Long; Chemistry - A European Journal 2010, V16(17), P4991-4994, S4991/1-S4991/45 CAPLUS
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