Basic information
- CAS
730950-02-4- Standard SMILES
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)O)c2n1- InChIKey
UBPPSOBNDLDLMY-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2NO3
- Average molar mass
- 286.11 g/mol
- Monoisotopic mass
- 284.9959485
Names & identifiers
- Preferred name
- 2-((5,7-Dichloro-2-methylquinolin-8-yl)oxy)acetic acid
- IUPAC
- 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acid
- English name
- Acetic acid, 2-[(5,7-dichloro-2-methyl-8-quinolinyl)oxy]-
- Molecular formula
- C12H9Cl2NO3
- Molecular weight
- 286.11
Names & synonyms
730950-02-42-[(5,7-dichloro-2-methylquinolin-8-yl)oxy]acetic acid2-((5,7-Dichloro-2-methylquinolin-8-yl)oxy)acetic acidRefChem:449349979-255-3(5,7-Dichloro-2-methyl-quinolin-8-yloxy)-acetic acid2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetic acidMLS000774631CHEMBL1349125HMS2720D13FEB95002MFCD04621513
Show more names
Acetic acid, 2-[(5,7-dichloro-2-methyl-8-quinolinyl)oxy]-
AKOS008967127SMR000372385CS-0220364EN300-06488G35911Z569434902-[(5,7-dichloro-2-methylquinolin-8-yl)oxy]aceticacid2-(5,7-dichloro-2-methyl-quinolin-1-ium-8-yl)oxyacetate
Database identifiers
- CAS
730950-02-4- PubChem CID
- 2393576
- ChEMBL
CHEMBL1349125- EC Number
- 979-255-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Experimental & physicochemical properties
Solubility>42.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 457.6 · 457.6±40.0 °C(Predicted)
- Density
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- pka
- 1.19 · 1.19±0.40(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
Suppliers1 total
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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