Basic information
- CAS
447461-22-5- Standard SMILES
Cc1cnc(C(=O)O)c(C)c1Cl- InChIKey
CKGRDASRXROABV-UHFFFAOYSA-N- Molecular formula
- C8H8ClNO2
- Average molar mass
- 185.61 g/mol
- Monoisotopic mass
- 185.0243562
Names & identifiers
- Preferred name
- 4-Chloro-3,5-dimethylpicolinic Acid
- IUPAC
- 4-chloro-3,5-dimethylpyridine-2-carboxylic acid
- English name
- 4-Chloro-3,5-diMethylpicolinic Acid
- Molecular formula
- C8H8ClNO2
- Molecular weight
- 185.61
Names & synonyms
4-Chloro-3,5-dimethylpicolinic Acid447461-22-54-chloro-3,5-dimethylpyridine-2-carboxylic acid4-Chloro-3,5-dimethyl-2-pyridinecarboxylic acid2-carboxy-4-chloro-3,5-lutidine4-chloro-3,5-dimethyl-pyridine-2-carboxylic AcidSCHEMBL7672020CKGRDASRXROABV-UHFFFAOYSA-NDTXSID601241017CS-04526782-Pyridinecarboxylic acid, 4-chloro-3,5-dimethyl-
Database identifiers
- CAS
447461-22-5- PubChem CID
- 10313428
- DTXSID
DTXSID601241017
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale 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
Uses4-Chloro-3,5-dimethylpicolinic Acid is a derivative of pyridine hydrochloride (P991280), a base structure present in many biologically active compounds like the vitamins niacin and pyridoxal. Pyridine is used in dehalogenation reactions and can be used as a base in condensation reactions.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
6 records
Compound notes
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