Basic information
- CAS
1016504-22-5- Standard SMILES
Nc1nnc(C2Cc3ccccc3O2)o1- InChIKey
WIRXXPMFPSECKP-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 5-(2,3-Dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine
- English name
- 1,3,4-Oxadiazol-2-amine, 5-(2,3-dihydro-2-benzofuranyl)-
- Molecular formula
- C10H9N3O2
- Molecular weight
- 203.2
Names & synonyms
5-(2,3-dihydro-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine1016504-22-5SCHEMBL21788601RQB50422AKOS000157510AKOS026730481EN300-51465Z2852339781,3,4-Oxadiazol-2-amine, 5-(2,3-dihydro-2-benzofuranyl)-
Database identifiers
- CAS
1016504-22-5- PubChem CID
- 20120850
- EC Number
- 172-546-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 407.3 · 407.3±55.0 °C(Predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- -1.31 · -1.31±0.26(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, 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
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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