Basic information
- CAS
52174-94-4- Standard SMILES
CC(=O)Oc1c(Cl)cc(Cl)c2cccnc12- InChIKey
YLHTUGZWCAVVON-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO2
- Average molar mass
- 256.08 g/mol
- Monoisotopic mass
- 254.9853839
Names & identifiers
- Preferred name
- 8-Quinolinol, 5,7-dichloro-, acetate (ester)
- IUPAC
- (5,7-dichloroquinolin-8-yl) acetate
- English name
- Acetic acid 5,7-dichloro-8-quinolyl ester
- Molecular formula
- C11H7Cl2NO2
- Molecular weight
- 256.08
Names & synonyms
52174-94-45,7-Dichloro-8-acetoxyquinolineBRN 02038995,7-Dichloro-8-quinolinol acetate (ester)8-Quinolinol, 5,7-dichloro-, acetate (ester)DTXSID402002040-21-00-00096 (Beilstein Handbook Reference)5,7-DICHLORO-8-QUINOLYL ACETATERefChem:548408DTXCID00122695654-861-85,7-Dichloroquinolin-8-yl acetate
Show more names
5,7-Dichloro-8-quinolinol acetate8-Quinolinol, 5,7-dichloro-, 8-acetate
Acetic acid 5,7-dichloro-8-quinolyl esterSCHEMBL4459991CHEMBL5284633(5,7-dichloro-8-quinolyl) acetateAKOS024332868DB-307577
Database identifiers
- CAS
52174-94-4- PubChem CID
- 148563
- DTXSID
DTXSID40200204- ChEMBL
CHEMBL5284633- EC Number
- 654-861-8
- Nikkaji
- J59.552G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H302-H318-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H302-H318-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…