Basic information
- CAS
1179761-73-9- Standard SMILES
Nc1ccc(Oc2nc3ccccc3o2)cc1- InChIKey
MCQYHZVIZDWZLQ-UHFFFAOYSA-N- Molecular formula
- C13H10N2O2
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.07422757
Names & identifiers
- Preferred name
- 4-(1,3-Benzoxazol-2-yloxy)aniline
- IUPAC
- 4-(1,3-benzoxazol-2-yloxy)aniline
- English name
- 4-(1,3-Benzoxazol-2-yloxy)aniline
- Molecular formula
- C13H10N2O2
- Molecular weight
- 226.23
Names & synonyms
4-(1,3-benzoxazol-2-yloxy)aniline1179761-73-9EXB76173MFCD12857010SY197574CS-0263149EN300-85342Benzenamine, 4-(2-benzoxazolyloxy)-
Database identifiers
- CAS
1179761-73-9- PubChem CID
- 54595136
- EC Number
- 141-787-1
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 404.8 · 404.8±47.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±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.
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
Suppliers1 total
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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