5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine
Basic information
- CAS
7659-02-1- Standard SMILES
Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1- InChIKey
ZCDYCESVPSXZFM-UHFFFAOYSA-N- Molecular formula
- C8H6N4O3
- Average molar mass
- 206.16 g/mol
- Monoisotopic mass
- 206.04399007
Names & identifiers
- Preferred name
- 5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
- English name
- 5-(3-Nitrophenyl)-1,3,4-oxadiazol-2-amine
- Molecular formula
- C8H6N4O3
- Molecular weight
- 206.16
Names & synonyms
5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine7659-02-1DTXSID70350302RefChem:299726DTXCID90301371870-647-9MFCD00469759MLS0010069071,3,4-Oxadiazol-2-amine, 5-(3-nitrophenyl)-SMR0003844132-Amino-5-(3-nitrophenyl)-1,3,4-oxadiazolecid_676499
Show more names
CHEMBL1896222SCHEMBL28372775BDBM56749HMS2765E04ALBB-031798AKOS000198790LS-11584CS-0307844
Database identifiers
- CAS
7659-02-1- PubChem CID
- 676499
- DTXSID
DTXSID70350302- ChEMBL
CHEMBL1896222- EC Number
- 870-647-9
- Nikkaji
- J1.352.567F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
Solubility23.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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