Basic information
- CAS
3357-42-4- Standard SMILES
c1ccc(-c2ncn[nH]2)cc1- InChIKey
NYMLZIFRPNYAHS-UHFFFAOYSA-N- Molecular formula
- C8H7N3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.06399724
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 5-phenyl-
- IUPAC
- 5-phenyl-1H-1,2,4-triazole
- English name
- 3-phenyl-2H-1,2,4-triazole
- Molecular formula
- C8H7N3
- Molecular weight
- 145.16
Names & synonyms
3357-42-45-Phenyl-1H-1,2,4-triazole3-phenyl-4H-1,2,4-triazole1H-1,2,4-TRIAZOLE, 5-PHENYL-2-Fenil-1,3,4-triazolo2-Fenil-1,3,4-triazolo [Italian]DTXSID70187271RefChem:437873DTXCID80109762688-830-53-Phenyl-1H-1,2,4-triazole3-PHENYL-2H-1,2,4-TRIAZOLE
Show more names
S-Triazole, 3-phenyl-3-Phenyl-1h-1,2,4-triazole hydrochloride
1H-1,2,4-Triazole, 3-phenyl-MFCD00159717CHEMBL85443SCHEMBL24910465-phenyl-4h-1,2,4-triazole(1,2,4-Triazol-3-yl)benzene3-Phenyl-4H-[1,2,4]triazoleBS-37921
Database identifiers
- CAS
3357-42-4- PubChem CID
- 18786
- DTXSID
DTXSID70187271- ChEMBL
CHEMBL85443- EC Number
- 688-830-5
- Nikkaji
- J49.174H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP1.54
Physicochemical properties
- Melting point
- 177 °C · 177 °C
- Boiling point
- 332.7 · 332.7±25.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.82 · 9.82±0.20(Predicted)
- Appearance
- White to off-white Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers18 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
济南路远生物医药科技有限公司13210587493 · [email protected]
上海锌果科技有限公司13120711461 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都安普生医药科技有限公司13568817957 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
宁波坤珏医药科技有限公司0574-88327552 15355115930 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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