2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole

Catalog Number

ACM15082287-5

CAS

15082-28-7

Structure

Synonyms

Butyl-PBD,B8378_SIGMA,20526_FLUKA,EINECS239-135-7,NSC158164,ZINC01601801,NSC158164,ST5307390,

IUPAC Name

2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole

Molecular Weight

354.44

Molecular Formula

C24H22N2O

Canonical SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3

InChI Key

XZCJVWCMJYNSQO-UHFFFAOYSA-N

Boiling Point

137 - 139 °C

Melting Point

505.1 °C at 760mmHg

Purity

95%+

Density

1.103 g/ml

Appearance

White powder

• Catalog Number: ACM15082287-5
• CAS: 15082-28-7
• Synonyms: Butyl-PBD,B8378_SIGMA,20526_FLUKA,EINECS239-135-7,NSC158164,ZINC01601801,NSC158164,ST5307390,
• IUPAC Name: 2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
• Molecular Weight: 354.44
• Molecular Formula: C24H22N2O
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C4=CC=CC=C4
• InChI: InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
• InChI Key: XZCJVWCMJYNSQO-UHFFFAOYSA-N
• Boiling Point: 137 - 139 °C
• Melting Point: 505.1 °C at 760mmHg
• Purity: 95%+
• Density: 1.103 g/ml
• Appearance: White powder