Completing data — usually done within a minute
Basic information
- Standard SMILES
Nc1oncc1-c1ccccn1- InChIKey
XFNQXILRIIWXOW-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.164 g/mol
- Monoisotopic mass
- 161.05891184
Names & identifiers
- Preferred name
- 4-pyridin-2-ylisoxazol-5-amine
- IUPAC
- 4-(Pyridin-2-yl)-1,2-oxazol-5-amine
- English name
- 4-Pyridin-2-ylisoxazol-5-amine
- Molecular formula
- C8H7N3O
- Molecular weight
- 161.16
Names & synonyms
4-Pyridin-2-ylisoxazol-5-amine5-Isoxazolamine, 4-(2-pyridinyl)-5-Isoxazolamine,4-(2-pyridinyl)-(9CI)
Database identifiers
- CAS
499785-46-5- PubChem CID
- 2806085
- DTXSID
DTXSID80384476- ChEMBL
CHEMBL4165043
Properties
Physicochemical properties
- Boiling point
- 355.9 · 355.9±32.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.19(Predicted)
- form
- solid
- InChI
- 1S/C8H7N3O/c9-8-6(5-11-12-8)7-3-1-2-4-10-7/h1-5H,9H2
- InChIKey
- XFNQXILRIIWXOW-UHFFFAOYSA-N
- SMILES
- NC1=C(C2=CC=CC=N2)C=NO1
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- target organs
- Respiratory system
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H335-H315-H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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