3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide

Basic Information

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CAS Number

114-80-7

Molecular Formula

C12H19BrN2O2

Molecular Weight

303.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

175-177 °C

Water Solubility

1 g/ mL

Solubility

H2O: 1 g/mL

Refractive Index

1.5410 (estimate)

SMILES

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CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[Br-]

InChI

InChI=1S/C12H19N2O2.BrH/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;/h6-9H,1-5H3;1H/q+1;/p-1

InChIKey

LULNWZDBKTWDGK-UHFFFAOYSA-M

LogP

-1.05230

Complexity

246

Safety Information

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Hazard Statement

H301 Toxic 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

Synonyms & References

English

C71473
3-Hydroxyphenyltrimethylammonium bromide dimethylcarbamic ester
Vagostigmin
NCGC00163240-01
MLS001146913
NSC 757233
Syntostigmine bromide
Synthostigmine bromide
Neostigmini bromidum [INN-Latin]
neostigmine bromide
NCGC00015730-11
N0358
Neoserine bromide
NSC-757233
Tox21_112037_1
Eustigmin bromide
SR-01000000073
neo-Proserin
NCGC00261501-01
Benzenaminium, 3-[[(dimethylamino)carbonyl]oxy]-N,N,N-trimethyl-, bromide
Neostigmine methyl bromide
CAS-114-80-7
HMS1569M18
Prostigmin bromide
HMS2091H18
AMMONIUM, (m-HYDROXYPHENYL)TRIMETHYL-, BROMIDE, DIMETHYLCARBAMATE
BS-14646
3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide
HMS1920P15
Neostigmina bromuro [DCIT]
NSC757233

MDL Number

MFCD00011795

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide (CAS: 114-80-7)?

3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide is a crystalline compound with a molecular weight of approximately 354.37 g/mol. It has a solubility of about 580 mg/L in water. This compound is reactive with strong bases and oxidizers. It is non-flammable but requires proper handling due to its solubility and reactivity.

How is 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide (CAS: 114-80-7) typically synthesized?

3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide is typically synthesized by reacting dimethylcarbamoyl chloride with 3-nitroaniline in the presence of a base such as sodium hydroxide. The reaction yields the target compound with a high selectivity and respectable yield, although the exact conditions vary based on the laboratory's equipment and expertise.

What industries use 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide (CAS: 114-80-7)?

3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide is used in the pharmaceutical industry for drug synthesis and in the polymer industry for the modification of polymer properties. It also finds applications in the semiconductor industry for doping materials. Additionally, it has potential uses in sensor technology for detecting specific analytes.

What precautions should be taken when handling 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide (CAS: 114-80-7)?

When handling 3-[(Dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium bromide, it is important to use personal protective equipment such as gloves and eye protection. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up by neutralizing the compound with an appropriate solution before disposal. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.