3-Chloroquinoline-8-carboxylic acid
Basic information
- CAS
125300-42-7- Standard SMILES
O=C(O)c1cccc2cc(Cl)cnc12- InChIKey
ZBCZIOIUHRRMLO-UHFFFAOYSA-N- Molecular formula
- C10H6ClNO2
- Average molar mass
- 207.61 g/mol
- Monoisotopic mass
- 207.0087061
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Chloroquinoline-8-carboxylic acid
- IUPAC
- 3-chloroquinoline-8-carboxylic acid
- English name
- 3-chloroquinoline-8-carboxylic acid
- Molecular formula
- C10H6ClNO2
- Molecular weight
- 207.61
Names & synonyms
3-Chloroquinoline-8-carboxylic acid125300-42-78-Quinolinecarboxylic acid, 3-chloro-3-CQ-8-CADTXSID10154725RefChem:93542DTXCID1077216MFCD280488883-Chloroquinoline-8-carboxylicacidSCHEMBL1612627AKOS025146733SB72117
Show more names
AS-32804SY259127DB-241019CS-0196624F464647
Database identifiers
- CAS
125300-42-7- PubChem CID
- 130409
- DTXSID
DTXSID10154725
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 399.1 · 399.1±22.0 °C(Predicted)
- Density
- 1.469 · 1.469±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- -2.66 · -2.66±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
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Related reactions
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Compound notes
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