Basic information
- CAS
175277-36-8- Standard SMILES
CC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)no1- InChIKey
JSOQKPJDRMKQOZ-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO2
- Average molar mass
- 256.08 g/mol
- Monoisotopic mass
- 254.9853839
Names & identifiers
- Preferred name
- 1-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One
- IUPAC
- 1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone
- English name
- 1-[3-(3,4-DICHLOROPHENYL)ISOXAZOL-5-YL]ETHAN-1-ONE
- Molecular formula
- C11H7Cl2NO2
- Molecular weight
- 256.08
Names & synonyms
175277-36-81-[3-(3,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One1-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone1-(3-(3,4-Dichlorophenyl)isoxazol-5-yl)ethanoneMFCD001000341-[3-(3,4-dichlorophenyl)-1,2-oxazol-5-yl]ethan-1-one5-acetyl-3-(3,4-dichlorophenyl)isoxazole1-(3-(3,4-Dichlorophenyl)isoxazol-5-yl)ethan-1-one1-[3-(3,4-dichlorophenyl)isoxazol-5-yl]ethanoneMaybridge1_008951Ethanone,1-[3-(3,4-dichlorophenyl)-5-isoxazolyl]-SCHEMBL4125826
Show more names
BUTTPARK 82\12-94Ethanone, 1-[3-(3,4-dichlorophenyl)-5-isoxazolyl]-
HMS566O19DTXSID70372569JSOQKPJDRMKQOZ-UHFFFAOYSA-NSBB059030AKOS015908636AS-9090CS-0448454ST51043329
Database identifiers
- CAS
175277-36-8- PubChem CID
- 2745558
- DTXSID
DTXSID70372569
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 429.4 · 429.4±45.0 °C(Predicted)
- Density
- 1.375 · 1.375±0.06 g/cm3(Predicted)
- pka
- -5.99 · -5.99±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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