Basic information
- CAS
2048-69-3- Standard SMILES
CC(=O)c1cc(-c2ccccc2)no1- InChIKey
SOHVRTPQGGXAQS-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one
- IUPAC
- 1-(3-phenyl-1,2-oxazol-5-yl)ethanone
- English name
- 1-(3-Phenyl-5-isoxazolyl)-1-ethanone
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
2048-69-31-(3-phenyl-1,2-oxazol-5-yl)ethan-1-oneDTXSID50370649RefChem:224592DTXCID203216831-(3-Phenylisoxazol-5-yl)ethanone1-(3-Phenyl-5-isoxazolyl)-1-ethanone1-(3-phenyl-1,2-oxazol-5-yl)ethanoneMFCD00100033Ethanone, 1-(3-phenyl-5-isoxazolyl)-1-(3-Phenylisoxazol-5yl)ethanone1-(3-phenylisoxazol-5-yl)ethan-1-one
Show more names
BUTTPARK 75\12-453-PHENYL-5-ACETYL ISOXAZOLE
1-(3-phenyl-isoxazol-5-yl)-ethanone5-acetyl-3-phenylisoxazoleMaybridge1_008643SCHEMBL4805HMS566A19SOHVRTPQGGXAQS-UHFFFAOYSA-NCAA04869SBB090567
Database identifiers
- CAS
2048-69-3- PubChem CID
- 2735264
- DTXSID
DTXSID50370649- Nikkaji
- J2.419.133H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 107 · 107-108,5°C
- Boiling point
- 373 · 373.0±30.0 °C(Predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- -4.48 · -4.48±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338-P362+P364
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HazardClass
- IRRITANT
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338-P362+P364
Chemistry & industry
Suppliers9 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
3 records
Compound notes
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