4-Chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
Basic information
- CAS
99429-65-9- Standard SMILES
O=C(O)c1c(Cl)c2ccccc2[nH]c1=O- InChIKey
NTCNBKQOUPVIJW-UHFFFAOYSA-N- Molecular formula
- C10H6ClNO3
- Average molar mass
- 223.61 g/mol
- Monoisotopic mass
- 223.0036207
Names & identifiers
- Preferred name
- 4-Chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
- IUPAC
- 4-chloro-2-oxo-1H-quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 4-chloro-1,2-dihydro-2-oxo-
- Molecular formula
- C10H6ClNO3
- Molecular weight
- 223.61
Names & synonyms
99429-65-94-Chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic acidDTXSID003570014-Chloro-1,2-dihydro-2-oxo-3-quinolinecarboxylic acidRefChem:521159DTXCID70308060970-295-74-chloro-2-oxo-1H-quinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 4-chloro-1,2-dihydro-2-oxo-MFCD00634792Oprea1_766945AG-690/40097161
Show more names
SCHEMBL13997679ZDA42965AKOS024462886SB71623BS-50254E76337EN300-1866804-chloro-2-oxo-1,2-dihydroquinoline-3-carboxylic
Database identifiers
- CAS
99429-65-9- PubChem CID
- 839978
- DTXSID
DTXSID00357001- EC Number
- 970-295-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 424.4 · 424.4±45.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 1.34 · 1.34±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
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-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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