3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-
Basic information
- CAS
171850-30-9- Standard SMILES
O=C(O)c1c[nH]c2cc(Cl)cc(Cl)c2c1=O- InChIKey
DEBOCPZCSPMQBS-UHFFFAOYSA-N- Molecular formula
- C10H5Cl2NO3
- Average molar mass
- 258.05 g/mol
- Monoisotopic mass
- 256.9646484
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-
- IUPAC
- 5,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid
- Molecular formula
- C10H5Cl2NO3
- Molecular weight
- 258.06
Names & synonyms
5,7-Dichloro-4-hydroxyquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-EC 431-250-2DTXSID9073121RefChem:505278DTXCID6035495431-250-2686-787-7171850-30-95,7-dichloro-4-oxo-1H-quinoline-3-carboxylic acidMFCD002198325,7-dichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Show more names
BUTTPARK 81\09-325,7-Dichloro-4-hydroxyquinoline-3-carboxylicacid97%5,7-Dichloro-4-hydroxy-1-azanaphthalene-3-carboxylic acid, 3-Carboxy-5,7-dichloro-4-hydroxyquinoline
123157-79-95,7-dichloro-3-carboxy-4-hydroxyquinoline5,7-dichloro-4-oxohydroquinoline-3-carboxylic acidMaybridge1_0050064-hydroxy-5,7-dichloroquinoline-3-carboxylic acidOprea1_3460915,7-Dichloro-4-hydroxy-3-quinolinecarboxylic acidCHEMBL216626
Database identifiers
- CAS
171850-30-9- PubChem CID
- 735362
- DTXSID
DTXSID9073121- ChEMBL
CHEMBL216626- EC Number
- 431-250-2、686-787-7
- Nikkaji
- J783.260E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 445.5 · 445.5±45.0 °C(Predicted)
- Density
- 1.701 · 1.701±0.06 g/cm3(Predicted)
- pka
- 0.43 · 0.43±0.30(Predicted)
- form
- Powder
- EPA Substance Registry System
- 3 · 3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy- (171850-30-9)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 2933491090 · 2933491090
- REACH Registrations
- Inactive
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
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 1 notifications to the ECHA C&L Inventory.
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 5,7-dichloro-4-hydroxyquinoline-3-carboxylic acid (EC: 431-250-2)
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
Safety data
- tsca
- TSCA listed
- hs_code
- 2933491090
- Symbol(GHS)
- GHS09
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H411
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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