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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11368753Generated: November 1, 2026

2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl-

2-(4-methoxyphenyl)-5-phenyltetrazole · 2-(4-Methoxyphenyl)-5-phenyl-2H-tetrazole · 2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl-

https://huagongshe.com/en/chemical/11368753

2H-Tetrazole, 2-(4-methoxyphenyl)-5-phenyl- molecular structure

Identifiers & Physical Properties

CAS No.60636-95-5
Molecular formulaC14H12N4O
Average molar mass252.27 g/mol
Monoisotopic mass252.10111102 g/mol
SMILESCOc1ccc(-n2nnc(-c3ccccc3)n2)cc1
InChIKeyAASNETFLUSPAID-UHFFFAOYSA-N
PubChem CID11368753
EC No.107-739-9
DTXSIDDTXSID60463798

Chemical & Physical Properties

XLogP3.4
Topological polar surface area52.8
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds3
Heavy atoms19
Formal charge0
Complexity275
Melting point101-102 °C(Solv: carbon tetrachloride (56-23-5)chloroform (67-66-3))
Boiling point438.6±47.0 °C(Predicted)
Density1.24±0.1 g/cm3(Predicted)
pKa (acidity coefficient)0.26±0.12(Predicted)
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP280-P305+P351+P338

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP280-P305+P351+P338