Basic information
- CAS
825-56-9- Standard SMILES
c1ccc(-c2nnco2)cc1- InChIKey
ZEOMRHKTIYBETG-UHFFFAOYSA-N- Molecular formula
- C8H6N2O
- Average molar mass
- 146.15 g/mol
- Monoisotopic mass
- 146.04801281
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2-phenyl-
- IUPAC
- 2-phenyl-1,3,4-oxadiazole
- English name
- 2-Phenyl-1,3,4-oxadiazole
- Molecular formula
- C8H6N2O
- Molecular weight
- 146.15
Names & synonyms
2-Phenyl-1,3,4-oxadiazole1,3,4-OXADIAZOLE, 2-PHENYL-NSC 948842-Fenil-1,3,4-ossadiazolo2-Fenil-1,3,4-ossadiazolo [Italian]BRN 0118804DTXSID802317994-27-00-07140 (Beilstein Handbook Reference)RefChem:412381DTXCID60154290879-121-3825-56-9
Show more names
MFCD004916132-phenyloxadiazole5-phenyl-1,3,4-oxadiazole2-Phenyl-[1,3,4]oxadiazoleNSC94884SCHEMBL95552-Phenyl-1,3,4-oxadiazol1,4-Oxadiazole, 2-phenyl-
Database identifiers
- CAS
825-56-9- PubChem CID
- 13217
- DTXSID
DTXSID80231799- ChEMBL
CHEMBL2269004- EC Number
- 879-121-3
- Nikkaji
- J65.681J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
LogP1.31
Physicochemical properties
- Melting point
- 34 °C · 34 °C
- Boiling point
- 254 ℃ · 254℃
- Density
- 1.179 · 1.179
- Flash point
- 111 ℃ · 111℃
- storage temp.
- 2 · 2-8°C
- pka
- -4.52 · -4.52±0.32(Predicted)
- Appearance
- 34 °C · Colorless to off-white 34°C Liquid
- InChI
- InChI=1S/C8H6N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-6H
- InChIKey
- ZEOMRHKTIYBETG-UHFFFAOYSA-N
- SMILES
- O1C=NN=C1C1=CC=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
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
Suppliers47 total
上海康恩博医药科技有限公司17510465506 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海骏腾医药科技有限公司15900602605 15900602605 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
上海竺钥化工有限公司021-33559231 18964673308 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
Related reactions
8 records
Compound notes
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