Basic information
- CAS
49742-56-5- Standard SMILES
COC(=O)c1ccc(-c2ccc(C)cc2)cc1- InChIKey
NSUWJKRQGXBISO-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester
- IUPAC
- methyl 4-(4-methylphenyl)benzoate
- English name
- Methyl 4'-methylbiphenyl-4-carboxylate
- Molecular formula
- C15H14O2
- Molecular weight
- 226.27
Names & synonyms
49742-56-5methyl 4'-methyl-[1,1'-biphenyl]-4-carboxylate[1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl esterEINECS 256-454-7DTXSID1068512Methyl 4'-methyl-(1,1'-biphenyl)-4-carboxylate(1,1'-Biphenyl)-4-carboxylic acid, 4'-methyl-, methyl esterRefChem:68068DTXCID3040728methyl 4'-methylbiphenyl-4-carboxylatemethyl 4-(4-methylphenyl)benzoateMethyl 4'-methyl[1,1'-biphenyl]-4-carboxylate
Show more names
Methyl4'-methylbiphenyl-4-carboxylate,95%4'-Methyl-4'-Methyl Biphenyl Carboxylic Acid4'-Methyl-4-biphenylcarboxylic acid methyl ester[1,1-BIPHENYL]-4-CARBOXYLIC ACID, 4-METHYL-, METHYL ESTERMethyl 4-(p-tolyl)benzoate, 4-(Methoxycarbonyl)-4'-methylbiphenyl, 4-[4-(Methoxycarbonyl)phenyl]toluene
4'-Methyl-biphenyl-4-carboxylic acid methyl esterMFCD05979484Methyl 4-(p-tolyl)benzoateMethyl 4'-methyl(1,1'-biphenyl)-4-carboxylateMethyl4'-methylbiphenyl-4-carboxylate4-(4-Methylphenyl)benzoic acid methyl ester4'-Methylbiphenyl-4-carboxylic acid methyl esterSCHEMBL2275652
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 115 · 115-116 °C
- Boiling point
- 350.1 · 350.1±21.0 °C(Predicted)
- Density
- 1.083 · 1.083
- form
- powder
- color
- White
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester (49742-56-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- TSCA
- TSCA listed
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety data
- tsca
- TSCA listed
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid, 4'-methyl-, methyl ester: ACTIVE
Applications
UsesMethyl 4''-Methylbiphenyl-4-carboxylate is used in the preparation of ionic compound-supported palladium complex as catalyst for suzuki-Miyaura coupling of aryl halides.
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安徽合诺生物科技有限公司18455579438
菏泽博纳医药科技有限公司15865805009 · [email protected]
Related reactions
1 records
Compound notes
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