4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine
Completing data — refresh the page later to see the latest
Basic information
- CAS
21741-98-0- Standard SMILES
Nc1nonc1-c1ccc(Cl)cc1- InChIKey
NLEBVIVMWGDDRK-UHFFFAOYSA-N- Molecular formula
- C8H6ClN3O
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.0199395
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine
- IUPAC
- 4-(4-chlorophenyl)-1,2,5-oxadiazol-3-amine
- English name
- 4-(4-CHLOROPHENYL)-1,2,5-OXADIAZOL-3-AMINE
- Molecular formula
- C8H6ClN3O
- Molecular weight
- 195.61
Names & synonyms
4-(4-Chlorophenyl)-1,2,5-oxadiazol-3-amine21741-98-0DTXSID80343003RefChem:287931DTXCID00294083MFCD001249501,2,5-Oxadiazol-3-amine, 4-(4-chlorophenyl)-4-(4-chlorophenyl)-1,2,5-oxadiazole-3-ylamineHMS1444J18Maybridge3_004792SCHEMBL1457676CCG-1692
Show more names
WAA74198SBB076137STK678169AKOS002286876IDI1_0161794-(4-Chloro-phenyl)-furazan-3-ylamineNS-01925ST038798
Database identifiers
- CAS
21741-98-0- PubChem CID
- 586606
- DTXSID
DTXSID80343003- EC Number
- 182-017-4
- Nikkaji
- J277.620K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 137 · 137-139 °C
- Boiling point
- 342.7 · 342.7±50.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- pka
- 0.22 · 0.22±0.47(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P317, 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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
1 records
Compound notes
Loading…