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36913-39-0

Basic Information
CAS No.: 36913-39-0
Name: Pyridinium,1-methyl-4-phenyl-, iodide (1:1)
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 36913-39-0 (Pyridinium,1-methyl-4-phenyl-, iodide (1:1))
Formula: C12H12IN
Molecular Weight: 297.138
Synonyms: 1-Methyl-4-phenylpyridiniumiodide (7CI);Pyridinium, 1-methyl-4-phenyl-, iodide (9CI);N-Methyl-4-phenylpyridinium iodide;
EINECS: N/A
Density: N/A
Melting Point: 166-168 °C
Boiling Point: 281 °C at 760 mmHg
Flash Point: 111.1 °C
Solubility: soluble in 0.1 M HCl
Appearance: yellow solid
Hazard Symbols: ToxicT
Risk Codes: 23/24/25-36/37/38
Safety: 26-36-45
Transport Information: UN 2811
PSA: 12.89000
LogP: 3.74680
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Specification

The Pyridinium, 1-methyl-4-phenyl-, iodide (1:1), with the CAS registry number 36913-39-0, is also known as N-Methyl-4-phenylpyridinium iodide. This chemical's molecular formula is C12H12IN and molecular weight is 297.13. What's more, its systematic name is 1-Methyl-4-phenylpyridinium iodide. In addition, this chemical is an active neurotoxic metabolite of 1-Methyl-4-phenyl-1, 2, 3, 6-tetrahydropyridine. The compound reduces dopamine levels, inhibits the biosynthesis of catecholamines, depletes cardiac norepinephrine and inactivates tyrosine hydroxylase.

Preparation of Pyridinium, 1-methyl-4-phenyl-, iodide (1:1): this chemical is prepared by reaction of 4-Bromo-1-methylpyridinium iodide with Tributyl-phenyl stannane. This reaction needs reagent P(o-Tol)3, catalyst Pd2(dba)3 and solvent Dimethylformamide. The reaction temperature is 20 °C. The yield is about 64 %.

The Pyridinium, 1-methyl-4-phenyl-, iodide (1:1) can be obtained by 1-Methyl-4-phenyl-1,2,3,6-tetrahydro-pyridine.

Uses of Pyridinium, 1-methyl-4-phenyl-, iodide (1:1): it is used to produce other chemicals. For example, it is used to produce 1-Methyl-4-phenyl-1, 2, 3, 6-tetrahydro-pyridine. The reaction needs reagent Sodium borohydride and solvent Methanol. The yield is about 92 %.

Pyridinium, 1-methyl-4-phenyl-, iodide (1:1) can be to produce 1-Methyl-4-phenyl-1, 2, 3, 6-tetrahydro-pyridine.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C[n+]1ccc(cc1)c2ccccc2.[I-]
(2) InChI: InChI=1/C12H12N.HI/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;/h2-10H,1H3;1H/q+1;/p-1
(3) InChIKey: RFDFRDXIIKROAI-REWHXWOFAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 29mg/kg (29mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 723, 1993.
mouse LD50 subcutaneous 22300ug/kg (22.3mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Pharmacology and Experimental Therapeutics. Vol. 247, Pg. 531, 1988.