Basic information
- CAS
39794-99-5- Standard SMILES
C[n+]1ccc(-c2ccccc2)cc1.[Cl-]- InChIKey
LMGBDZJLZIPJPZ-UHFFFAOYSA-M- Molecular formula
- C12H12ClN
- Average molar mass
- 205.68 g/mol
- Monoisotopic mass
- 205.0658271
Names & identifiers
- Preferred name
- Cyperquat chloride
- IUPAC
- 1-methyl-4-phenylpyridin-1-ium chloride
- English name
- MPTPHYDROCHLORIDE
- Molecular formula
- C12H12ClN
- Molecular weight
- 205.69
Names & synonyms
Cyperquat chloride1-Methyl-4-phenylpyridinium chloride39794-99-5MRP3DNB9K9Pyridinium, 1-methyl-4-phenyl-, chlorideDTXSID8041826S-21634RefChem:130140DTXCID6021826Cyperquat chloride [ISO]1-methyl-4-phenylpyridin-1-ium chlorideMPTPHYDROCHLORIDE
Show more names
CYPERQUAT
1-methyl-4-phenylpyridin-1-ium;chlorideCaswell No. 574CGCP-1634UNII-MRP3DNB9K9EPA Pesticide Chemical Code 271700S 21634SCHEMBL163494CHEMBL577901
Database identifiers
- CAS
39794-99-5- PubChem CID
- 94497
- DTXSID
DTXSID8041826- ChEMBL
CHEMBL577901- UNII
- MRP3DNB9K9
Properties
Computed structural properties
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- FDA UNII
- 3 DNB9K9 · MRP3DNB9K9
- EPA Substance Registry System
- Cyperquat chloride (39794-99-5)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
Applications
DescriptionCyperquat chloride is an obsolete broad-spectrum herbicide. Very little information is available regarding its environmental fate or ecotoxicology. It is highly toxic if ingested by mammals and may damage the central nervous system.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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