682772

(4S)-(+)-4-[4-(tert-butyl)phenyl]-α-[(4S)-4-[4-(tert-butyl)phenyl]-2-oxazolidinylidene]-2-oxazolineacetonitrile

97%

• Synonym(s): Bis[(4S)-4-(4-tert-butylphenyl)-4,5-dihydro-2-oxazolyl]acetonitrile
• Empirical Formula (Hill Notation): C₂₈H₃₃N₃O₂
• CAS Number: 1217481-09-8
• Molecular Weight: 443.58
• MDL number: MFCD09265173
• UNSPSC Code: 12352005
• PubChem Substance ID: 24885734
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: solid
• optical activity: [α]22/D +349°, c = 2% in chloroform
• mp: 257-261 °C
• functional group: ether; nitrile
• SMILES string: CC(C)(C)c1ccc(cc1)[C@H]2CO\C(N2)=C(/C#N)C3=N[C@H](CO3)c4ccc(cc4)C(C)(C)C
• InChI: 1S/C28H33N3O2/c1-27(2,3)20-11-7-18(8-12-20)23-16-32-25(30-23)22(15-29)26-31-24(17-33-26)19-9-13-21(14-10-19)28(4,5)6/h7-14,23-24,30H,16-17H2,1-6H3/b25-22+/t23-,24-/m1/s1
• InChI key: MWECWWUUZLQWRQ-MJIBFJBCSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves