4-Chloro-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
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Basic information
- CAS
1040079-81-9- Standard SMILES
CC(C)c1noc(-c2cc(Cl)ccc2N)n1- InChIKey
BVIZGIREMGPFLW-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O
- Average molar mass
- 237.68 g/mol
- Monoisotopic mass
- 237.0668897
Names & identifiers
- Preferred name
- 4-Chloro-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
- IUPAC
- 4-chloro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
- English name
- 4-chloro-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
- Molecular formula
- C11H12ClN3O
- Molecular weight
- 237.69
Names & synonyms
4-chloro-2-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline1040079-81-94-chloro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilineQRB07981AKOS009228720EN300-102494Z357938152Benzenamine, 4-chloro-2-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-
Database identifiers
- CAS
1040079-81-9- PubChem CID
- 29783348
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 400.3 · 400.3±55.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- pka
- 0.19 · 0.19±0.10(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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