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Basic Information
CAS No.: 39794-99-5
Name: MPTPHYDROCHLORIDE
Molecular Structure:
Molecular Structure of 39794-99-5 (MPTPHYDROCHLORIDE)
Formula: C12H12 N . Cl
Molecular Weight: 205.687
Synonyms: Pyridinium,1-methyl-4-phenyl-, chloride (9CI); 1-Methyl-4-phenylpyridinium chloride;4-Phenyl-1-methylpyridinium chloride; Cyperquat chloride; S 21634
Safety: A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
PSA: 3.88000
LogP: -0.81790
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Chemistry

Molecular Structure of 1-Methyl-4-phenylpyridinium chloride (CAS NO.39794-99-5):


IUPAC: 1-Methyl-4-phenyl-pyridin-1-ium chloride
Molecular Formula:C12H12ClN
Molecular Weight:205.6834
SMILES:[Cl-].c2cc(c1cc[n+](cc1)C)ccc2 
InChI:InChI=1/C12H12N.ClH/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1 
InChIKey:LMGBDZJLZIPJPZ-REWHXWOFAS 

Toxicity Data With Reference

1.    

orl-rat LD50:35 mg/kg

     85AREA    Agricultural Chemicals. 2 (1977),112.

Safety Profile

A poison by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Specification

 1-Methyl-4-phenylpyridinium chloride with cas registry number of 39794-99-5 is also known as 1-Methyl-4-phenylpyridinium chloride ; Cyperquat chloride ; Pyridinium,1-methyl-4-phenyl-, chloride . This substance is a derivative of cyperquat and it is toxic to human beings when swallowed. 1-Methyl-4-phenylpyridinium chloride with cas registry number of 39794-99-5 is used as a herbicide . It is quick-acting and non-selective, killing green plant tissue on contact. It is non-selective, which means it kills a wide range of annual grasses and broad-leaved weeds and the tops of established perennial weeds.