3,6,7-Trichloro-8-quinolinecarboxylic Acid
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Basic information
- CAS
1391052-46-2- Standard SMILES
O=C(O)c1c(Cl)c(Cl)cc2cc(Cl)cnc12- InChIKey
UKJRXEOBZSZSLD-UHFFFAOYSA-N- Molecular formula
- C10H4Cl3NO2
- Average molar mass
- 276.5 g/mol
- Monoisotopic mass
- 274.930761
Names & identifiers
- Preferred name
- 3,6,7-Trichloro-8-quinolinecarboxylic Acid
- IUPAC
- 3,6,7-trichloroquinoline-8-carboxylic acid
- English name
- 3,6,7-Trichloroquinoline-8-carboxylic Acid
- Molecular formula
- C10H4Cl3NO2
- Molecular weight
- 276.5
Names & synonyms
3,6,7-Trichloroquinoline-8-carboxylic Acid1391052-46-23,6,7-Trichloro-8-quinolinecarboxylic Acid3,6,7-Trichloroquinoline-8-carboxylic Acid;SCHEMBL28884184SCHEMBL29888020DB-2619748-Quinolinecarboxylic acid, 3,6,7-trichloro-
Database identifiers
- CAS
1391052-46-2- PubChem CID
- 71752716
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Melting point
- 169 C · >169C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly)
- form
- Solid
- color
- Light Yellow to Beige
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3,6,7-Trichloro-8-quinolinecarboxylic Acid is an impurity of Quinclorac (Q670300).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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