2H-Tetrazole,5-[4-(1,1-dimethylethyl)phenyl]-

• CAS: 126393-38-2
• Catalog Number: ACM126393382
• Category: Other Products
• Molecular Weight: 202.26
• Molecular Formula: C₁₁H₁₄N₄
• Synonyms: BUTTPARK 50\02-66;5-[4-(TERT-BUTYL)PHENYL]-2H-1,2,3,4-TETRAAZOLE;5-(4-TERT-BUTYLPHENYL)TETRAZOLE
• IUPAC Name: 5-(4-tert-butylphenyl)-2H-tetrazole
• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NNN=N2
• InChI Key: QHSLNQKCYGFLER-UHFFFAOYSA-N
• Boiling Point: 344.5ºC at 760mmHg
• Melting Point: 193-195ºC
• Flash Point: 152.9ºC
• Density: 1.127g/cm³
• Exact Mass: 202.12200
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Safety Description: S16

Synthetic Use

Upstream Synthesis Route 1

• 4210-32-6

• 126393-38-2

Reference: [1]Wong, Ken-Tsung; Ku, Sung-Yu; Cheng, Yi-Ming; Lin, Xiauo-Yun; Hung, Ying-Yueh; Pu, Shih-Chieh; Chou, Pi-Tai; Lee, Gene-Hsiang; Peng, Shie-Ming
[Journal of Organic Chemistry, 2006, vol. 71, # 2, p. 456 - 465]