Basic information
- CAS
1225900-23-1- Standard SMILES
O=C(O)c1cc(COc2c(Cl)cccc2Cl)on1- InChIKey
WUKXRQYIGCFXEK-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO4
- Average molar mass
- 288.08 g/mol
- Monoisotopic mass
- 286.9752131
Names & identifiers
- Preferred name
- 5-((2,6-Dichlorophenoxy)methyl)-1,2-oxazole-3-carboxylic acid
- IUPAC
- 5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
- English name
- 5-(2,6-Dichlorophenoxymethyl)-1,2-oxazole-3-carboxylic Acid
- Molecular formula
- C11H7Cl2NO4
- Molecular weight
- 288.08
Names & synonyms
1225900-23-15-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid5-((2,6-Dichlorophenoxy)methyl)-1,2-oxazole-3-carboxylic acidRefChem:528517982-997-05-(2,6-dichlorophenoxymethyl)-1,2-oxazole-3-carboxylic acidAZB90023AKOS010657202EN300-106348BRD-K40560546-001-01-9Z8157372225-(2,6-dichlorophenoxymethyl)-1,2-oxazole-3-carboxylicacid
Show more names
3-Isoxazolecarboxylic acid, 5-[(2,6-dichlorophenoxy)methyl]-
Database identifiers
- CAS
1225900-23-1- PubChem CID
- 61397461
- EC Number
- 982-997-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 492.4 · 492.4±45.0 °C(Predicted)
- Density
- 1.543 · 1.543±0.06 g/cm3(Predicted)
- pka
- 3.31 · 3.31±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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