4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate (CAS 62622-42-8) — formula C31H27NO2, molecular weight 445.5; category organic chemicals.
| CAS Number | 62622-42-8 |
|---|---|
| Molecular Formula | C31H27NO2 |
| Molecular Weight | 445.5 |
| LogP | 8.7 |
| Applications | General Manufacturing Information: [1, 1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4'-cyano[1, 1'-biphenyl]-4-yl ester: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: [1, 1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4'-cyano[1, 1'-biphenyl]-4-yl ester: INACTIVE.
4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate is a carbon-based organic compound with CAS registry number 62622-42-8 and molecular formula C31H27NO2 (molecular weight 445.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62622-42-8
Its molecular formula C31H27NO2 comprises 31 C, 27 H, 1 N, 2 O atoms.
Also known as: 4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate · 4'-氰基[1,1'-联苯]-4-基4'-戊基[1,1'-联苯]-4-羧酸酯
Category: organic chemicals
The CAS registry number of 4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate is 62622-42-8.
Molecular formula C31H27NO2, molecular weight 445.5.
It is also registered under: 4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate, 4'-氰基[1,1'-联苯]-4-基4'-戊基[1,1'-联苯]-4-羧酸酯.
Recorded applications: General Manufacturing Information: [1, 1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4'-cyano[1, 1'-biphenyl]-4-yl ester: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate (CAS 62622-42-8), compiled from public chemistry databases.
| CAS 号 | 62622-42-8 |
|---|---|
| PubChem CID | 112879 |
| 分子式 | C31H27NO2 |
| IUPAC 名称 | [4-(4-cyanophenyl)phenyl] 4-(4-pentylphenyl)benzoate |
| UNII（FDA） | NS00035104 |
| Molecular Weight | 445.5 |
|---|---|
| XLogP3 | 8.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 9 |
| Exact Mass | 445.204179104 |
| Monoisotopic Mass | 445.204179104 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 34 |
62622-42-8; EINECS 263-643-8; 4'-cyano[1,1'-biphenyl]-4-yl 4'-pentyl[1,1'-biphenyl]-4-carboxylate; [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester; DTXSID0069591; 4-Cyano-4'-biphenyl 4-pentylbiphenyl-4'-carboxylate; (1,1'-Biphenyl)-4-carboxylic acid, 4'-pentyl-, 4'-cyano(1,1'-biphenyl)-4-yl ester; 4'-Cyano(1,1'-biphenyl)-4-yl 4'-pentyl(1,1'-biphenyl)-4-carboxylate; RefChem:391120; DTXCID4043432; 263-643-8; SCHEMBL8377298; VQODCFCSVNXBEE-UHFFFAOYSA-N; 4'-Pentyl-biphenyl-4-carboxylic acid 4'-cyano-biphenyl-4-yl ester; NS00035104; AG-690/12764976
4'-氰基[1,1'-联苯]-4-基4'-戊基[1,1'-联苯]-4-羧酸酯 · CAS 62622-42-8 · C31H27NO2. UNII NS00035104.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.