Basic information
- CAS
35582-08-2- Standard SMILES
Nc1cccc(-c2ncco2)c1- InChIKey
PMLOUCFXSMIGQI-UHFFFAOYSA-N- Molecular formula
- C9H8N2O
- Average molar mass
- 160.17 g/mol
- Monoisotopic mass
- 160.06366288
Names & identifiers
- Preferred name
- 3-(1,3-Oxazol-2-yl)aniline
- IUPAC
- 3-(1,3-oxazol-2-yl)aniline
- English name
- 3-Oxazol-2-yl-phenylaMine
- Molecular formula
- C9H8N2O
- Molecular weight
- 160.17
Names & synonyms
35582-08-23-(1,3-oxazol-2-yl)anilineDTXSID10494875RefChem:273147DTXCID10445685835-287-93-(Oxazol-2-yl)aniline3-Oxazol-2-yl-phenylamine3-(2-oxazolyl)anilineMFCD14657178Benzenamine, 3-(2-oxazolyl)-3-oxazol-2-ylaniline
Show more names
SCHEMBL3846030SCHEMBL294333602-(3-Aminophenyl)1,3-oxazolePMLOUCFXSMIGQI-UHFFFAOYSA-NKBA58208AKOS010652632BS-13695SY192208
Database identifiers
- CAS
35582-08-2- PubChem CID
- 12371741
- DTXSID
DTXSID10494875- EC Number
- 835-287-9
- Nikkaji
- J1.819.585B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 69 · 69-70 °C
- Boiling point
- 344.1 · 344.1±44.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.69 · 3.69±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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)
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
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers7 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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