Basic information
- CAS
80980-09-2- Standard SMILES
c1ccc(-c2nc(-c3cccnc3)n[nH]2)cc1- InChIKey
LYJGTNPLWZSTJL-UHFFFAOYSA-N- Molecular formula
- C13H10N4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.09054634
Names & identifiers
- Preferred name
- 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine
- IUPAC
- 3-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
- English name
- 3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine
- Molecular formula
- C13H10N4
- Molecular weight
- 222.25
Names & synonyms
3-(5-Phenyl-4H-1,2,4-triazol-3-yl)pyridine80980-09-2DTXSID80346635RefChem:274976DTXCID102977073-(5-phenyl-1H-1,2,4-triazol-3-yl)pyridineMLS000334150SCHEMBL2251043CHEMBL1350893SCHEMBL17279680LYJGTNPLWZSTJL-UHFFFAOYSA-NHMS1715I22
Show more names
3-(3-Phenyl-1H-1,2,4-triazol-5-yl)pyridinePyridine, 3-(3-phenyl-1H-1,2,4-triazol-5-yl)-
HMS2553L21STK242784AKOS001078904AKOS002269433AKOS002337195NCGC00332251-01AC-17222SMR000248908
Database identifiers
- CAS
80980-09-2- PubChem CID
- 613699
- DTXSID
DTXSID80346635- ChEMBL
CHEMBL1350893
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 210 · 210-213 °C
- Boiling point
- 472.7 · 472.7±47.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.44 · 8.44±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers17 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南腾源化工科技有限公司0531-88062576 13791023792 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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