5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-amine
Basic information
- CAS
7659-07-6- Standard SMILES
Nc1nnc(-c2ccc(F)cc2)o1- InChIKey
OPZGULFMUGGIAS-UHFFFAOYSA-N- Molecular formula
- C8H6FN3O
- Average molar mass
- 179.15 g/mol
- Monoisotopic mass
- 179.04948999
Names & identifiers
- Preferred name
- 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
- English name
- 5-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylamine
- Molecular formula
- C8H6FN3O
- Molecular weight
- 179.15
Names & synonyms
5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine7659-07-6DTXSID20357442RefChem:299929DTXCID303085015-(4-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylamineMFCD02073839SCHEMBL20767009STK503608AKOS000122104CCG-309874AB10659
Show more names
JR-13811, 5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-amine, 96%5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine(SALTDATA: FREE)
Z1199903185-(4-fluorophenyl)-1,3,4-oxadiazole-2-ylamineBB 0238242FT-06791591,3,4-Oxadiazol-2-am2-amino-5-(4-fluorophenyl)-1,3,4-oxadiazole1,3,4-Oxadiazol-2-amine, 5-(4-fluorophenyl)-5-(4-fluorophenyl)-[1,3,4]oxadiazol-2-ylamine
Database identifiers
- CAS
7659-07-6- PubChem CID
- 853522
- DTXSID
DTXSID20357442- EC Number
- 997-940-5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 251 · 251-253 °C
- Boiling point
- 324.9 · 324.9±44.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -1.27 · -1.27±0.26(Predicted)
- Appearance
- Light yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2922390090 · 2922390090
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 3 reports by companies from 2 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
- 2922390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Compound notes
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