3-(4-Iodophenyl)-1,2-oxazol-5-amine
Basic information
- CAS
501326-26-7- Standard SMILES
Nc1cc(-c2ccc(I)cc2)no1- InChIKey
MCHPDUJYVJXRRB-UHFFFAOYSA-N- Molecular formula
- C9H7IN2O
- Average molar mass
- 286.07 g/mol
- Monoisotopic mass
- 285.96031
Names & identifiers
- Preferred name
- 3-(4-Iodophenyl)-1,2-oxazol-5-amine
- IUPAC
- 3-(4-iodophenyl)-1,2-oxazol-5-amine
- English name
- 3-(4-iodophenyl)-1,2-oxazol-5-amine
- Molecular formula
- C9H7IN2O
- Molecular weight
- 286.07
Names & synonyms
3-(4-iodophenyl)-1,2-oxazol-5-amine501326-26-7RefChem:493159848-177-05-Amino-3-(4-iodophenyl)isoxazole3-(4-iodophenyl)isoxazol-5-amineMFCD07383026SCHEMBL31215055BVA32626AKOS008119004SY184898CS-0252559
Show more names
5-Isoxazolamine, 3-(4-iodophenyl)-
EN300-60785G57993F666600Z362776376
Database identifiers
- CAS
501326-26-7- PubChem CID
- 3670293
- EC Number
- 848-177-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 433.8 · 433.8±40.0 °C(Predicted)
- Density
- 1.844 · 1.844±0.06 g/cm3(Predicted)
- pka
- -1.83 · -1.83±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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