5-Chloro-3-(propan-2-yl)-1,2-oxazole
Basic information
- CAS
1520916-39-5- Standard SMILES
CC(C)c1cc(Cl)on1- InChIKey
UDIQUHUBJJEBTB-UHFFFAOYSA-N- Molecular formula
- C6H8ClNO
- Average molar mass
- 145.59 g/mol
- Monoisotopic mass
- 145.0294416
Names & identifiers
- Preferred name
- 5-Chloro-3-(propan-2-yl)-1,2-oxazole
- IUPAC
- 5-chloro-3-propan-2-yl-1,2-oxazole
Names & synonyms
1520916-39-55-chloro-3-(propan-2-yl)-1,2-oxazoleRefChem:534684860-536-35-Chloro-3-isopropylisoxazole5-Chloro-3-propan-2-yl-1,2-oxazole5-chloro-3-isopropyl-isoxazoleSCHEMBL19501368VKC91639MFCD23809724AKOS018560597SY459964
Show more names
G52067EN300-1243177
Database identifiers
- CAS
1520916-39-5- PubChem CID
- 80000733
- EC Number
- 860-536-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
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Related reactions
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Compound notes
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