Basic information
- CAS
5098-15-7- Standard SMILES
N#Cc1ncoc1N- InChIKey
HMBJSRMVCZHYFN-UHFFFAOYSA-N- Molecular formula
- C4H3N3O
- Average molar mass
- 109.09 g/mol
- Monoisotopic mass
- 109.02761173
Names & identifiers
- Preferred name
- 5-Amino-1,3-oxazole-4-carbonitrile
- IUPAC
- 5-amino-1,3-oxazole-4-carbonitrile
- English name
- 5-aminooxazole-4-carbonitrile
- Molecular formula
- C4H3N3O
- Molecular weight
- 109.09
Names & synonyms
5-Amino-1,3-oxazole-4-carbonitrileRefChem:531957870-222-85-aminooxazole-4-carbonitrile5098-15-7MFCD16988832NSC690691NSC133682SCHEMBL1835153SCHEMBL6097829DTXSID60299918AKOS006342774
Show more names
4-Oxazolecarbonitrile, 5-amino-
AT18602NSC-133682NSC-690691DB-071283EN300-226766
Database identifiers
- CAS
5098-15-7- PubChem CID
- 281135
- DTXSID
DTXSID60299918- EC Number
- 870-222-8
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Melting point
- 184 · 184-186 °C
- Boiling point
- 344.4 · 344.4±27.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.3 · -1.30±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
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, P317, 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
- H312-H302-H332-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
上海昂提生物科技有限公司13764913901 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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