Basic information
- CAS
1874-38-0- Standard SMILES
O=[N+]([O-])c1cccc(-c2nnc(-c3ccccc3)o2)c1- InChIKey
PPAQPCTUYHOPLY-UHFFFAOYSA-N- Molecular formula
- C14H9N3O3
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.06439116
Overview
2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole is a C-nitro compound.
Names & identifiers
- Preferred name
- 2-(3-Nitro-phenyl)-5-phenyl-(1,3,4)oxadiazole
- IUPAC
- 2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
- English name
- phenyl-2 (nitro-3 phenyl)-5 oxadiazole-1,3,4
- Molecular formula
- C14H9N3O3
- Molecular weight
- 267.24
Names & synonyms
1874-38-02-(3-NITRO-PHENYL)-5-PHENYL-(1,3,4)OXADIAZOLERefChem:455828683-472-62-(3-Nitrophenyl)-5-phenyl-1,3,4-oxadiazoleMLS000709882SMR000287045cid_577329CHEMBL1427014SCHEMBL10245542BDBM63525CHEBI:119852
Show more names
phenyl-2 (nitro-3 phenyl)-5 oxadiazole-1,3,41,3,4-Oxadiazole, 2-(3-nitrophenyl)-5-phenyl-
PPAQPCTUYHOPLY-UHFFFAOYSA-NHMS2685C20AKOS000586392CS-0269876ST500105725-(3-nitrophenyl)-2-phenyl-1,3,4-oxadiazole1,2,4-Oxadiazole, 5-(3-nitrophenyl)-3-phenyl-2-(3-Nitrophenyl)-5-phenyl-1,3,4-oxadiazole #
Database identifiers
- CAS
1874-38-0- PubChem CID
- 577329
- ChEMBL
CHEMBL1427014- ChEBI
CHEBI:119852- EC Number
- 683-472-6
- Nikkaji
- J2.101.671C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H301-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H335-H315-H301-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Additional notes
DefinitionChEBI: 2-(3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole is a C-nitro compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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