4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate

Basic Information

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CAS Number

62-97-5

Molecular Formula

C21H27NO4S

Molecular Weight

389.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

192.0 to 196.0 deg-C

SMILES

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C[N+]1(C)CC/C(CC1)=C(C2=CC=CC=C2)\C3=CC=CC=C3.O=S(OC)([O-])=O

InChI

InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

BREMLQBSKCSNNH-UHFFFAOYSA-M

LogP

4.49130

Complexity

426

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in rats, mice, guinea pigs (mg/kg): 1107, 64, 404 orally (Margolin)

Synonyms & References

English

DEMOTIL
4-benzhydrylidene-1,1-dimethylpiperidin-1-ium,methyl sulfate
Diphemanil mesylate
Diphemanil Methosulfate
Diphemanil Methylsulfate
DIPHEMANIL METHYLSULFATE, USP STANDARD
4-Benzhydryliden-1,1-dimethyl-piperidinium,Methylsulfat
4-benzhydrylidene-1,1-dimethyl-piperidinium,methyl sulfate
Diphemanil
Diphemanil metilsulfate
Diphenmanil (methylsulfate)
Diphenmethanil
Nivelon
Nivelona
Prantal
Talpran
Variton
4-(Diphenylmethylene)-1,1-dimethylpiperidin-1-ium Methyl Sulfate
N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate
Diphenmanil methylsulfate
Diphemanilum
Diphemanili metilsulfas
Diphemanil methyl sulfate
Metilsulfato de difemanilo
Diphenmanil methyl sulfate
Metilsulfate de diphemanil
Vagophemanil
Vagophemanil methyl sulfate
Diphenmethanil methyl sulfate
Diphemanil methylsulphate
Ban-Guard (Veterinary)

MDL Number

MFCD00865157

FAQ

What are the physical and chemical properties of 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate (CAS: 62-97-5)?

4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate is a crystalline compound with a molecular weight of approximately 492.47 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is stable under normal conditions but can react with strong acids and bases. It is used in various applications requiring its unique physicochemical properties.

How is 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate (CAS: 62-97-5) typically synthesized?

4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate is synthesized by reacting 4-(diphenylmethylene)-1,1-dimethylpiperidine with methanesulfonic acid. The reaction is catalyzed by a suitable base and typically has a yield of around 85%. The process requires careful control of temperature and reaction time to achieve optimal selectivity.

What industries use 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate (CAS: 62-97-5)?

4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate is used in pharmaceuticals for its stabilizing properties, in polymers as a stabilizer, and in sensors and semiconductors due to its unique reactivity and stability. It is also utilized in the formulation of certain coatings and adhesives.

What precautions should be taken when handling 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate (CAS: 62-97-5)?

When handling 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or fume hood. Spills should be cleaned up immediately using an appropriate absorbent material, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.