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4-Cyanophenyl 4-n-hexylbenzoate · CAS 50793-85-6 · C20H21NO2. UNII NS00032148.
| CAS Registry Number | 50793-85-6 |
|---|---|
| PubChem CID | 170907 |
| Molecular formula | C20H21NO2 |
| IUPAC name | (4-cyanophenyl) 4-hexylbenzoate |
| UNII (FDA) | NS00032148 |
| Molecular Weight | 307.4 |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 307.157228913 |
| Monoisotopic Mass | 307.157228913 |
| Topological Polar Surface Area | 50.1 |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Reported hazard statements | H302 (100%), H312 (20%), H332 (20%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]
50793-85-6; Benzoic acid, 4-hexyl-, 4-cyanophenyl ester; p-Cyanophenyl p-hexylbenzoate; EINECS 256-767-9; DTXSID4068583; RefChem:118461; DTXCID6040909; 4-Cyanophenyl 4-hexylbenzoate; 4-Cyanophenyl 4-n-hexylbenzoate; (4-cyanophenyl) 4-hexylbenzoate; MFCD00600506; 4-Cyanophenyl4-hexylbenzoate; SCHEMBL4651827; DEUWEGPRKHPNKB-UHFFFAOYSA-N; RO-CM-1510; SBB059180
CAS 50793-85-6; molecular formula C20H21NO2; molecular weight — g/mol.
50793-85-6, Benzoic acid, 4-hexyl-, 4-cyanophenyl ester, p-Cyanophenyl p-hexylbenzoate, EINECS 256-767-9, DTXSID4068583, RefChem:118461.
Hazard statements reported: H302, H312, H332.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.