2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (1:1)

Basic Information

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CAS Number

55-86-7

Molecular Formula

C5H12Cl3N

Molecular Weight

192.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

108-111 ºC

Boiling Point

315.95°C (rough estimate)

Flash Point

20.5°C

Solubility

H2O: very soluble

Refractive Index

1.6300 (estimate)

SMILES

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CN(CCCl)CCCl.Cl

InChI

InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H

InChIKey

QZIQJVCYUQZDIR-UHFFFAOYSA-N

LogP

log Kow = -1.24 /Estimated/

Complexity

43.7

Safety Information

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GHS Hazard Pictograms

H300

H314

H317

H334

H350

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H350 May cause cancer
Carcinogenicity

Hazard Class

Class 6.1(a) Class 6.1(a)

Stability

Stable. Hygroscopic.

Sensitiveness

Hygroscopic

Toxicity

LD50 in rats (mg/kg): 1.1 i.v.; 1.9 s.c. (Anslow)

Synonyms & References

English

2-chloro-N-(2-chloroethyl) -N-methylethanamine hydrochloride
Di(2-chloroethyl)methylamine hydrochloride
Tox21_111170_1
Pliva
Methylbis(2-chloroethyl)amine hydrochloride
1,5-Dichloro-3-methyl-3-azapentane hydrochloride
Stickstofflost-ebewe
2-chloro-N-(2 -chloroethyl)-N-methylethanamine hydrochloride
Nitrogranulogen hydrochloride
N-Methyl-di-2-chloroethylamine hydrochloride
Nitol takeda
NCGC00091835-01
Azotoyperite
Embikhine
55-86-7
BP-20221
Dichloren
C 6866
HY-B1253
CHLORMETHINE HYDROCHLORIDE [WHO-DD]
n-methylbis (2-chloroethyl)amine hydrochloride
bis(2-chloroethyl)methyl amine hydrochloride
Methyldi(beta-chloroethyl)amine hydrochloride
Dichloromethyldiethylamine hydrochloride
2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (1:1)
Nitrogen mustard (HN-2), hydrochloride
Chloromethine hydrochloride
Mustine hydrochlor
AI3-16195
Nitrogen mustard HCl
SMR000059226

MDL Number

MFCD00012517

Customs Code

2921199090

FAQ

What are the physical and chemical properties of 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7)?

2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7) is a crystalline compound with a molecular weight of approximately 258.9 g/mol. It has a hydrochloride salt form, which increases its solubility in water. Chemically, it is known for its reactivity towards nucleophiles and its ability to undergo substitution reactions. It is slightly soluble in water and poorly soluble in organic solvents. This compound is used in various applications due to its unique chemical properties.

How is 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7) typically synthesized?

2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7) is typically synthesized through a multi-step process involving the reaction of chloroethylamine with methylamine in the presence of hydrochloric acid. The reaction is carried out under basic conditions to improve yield and selectivity. This method ensures a high purity product with excellent yield, suitable for various applications.

What industries use 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7)?

2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7) is widely used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a monomer for special polymer formulations, and in the sensor industry for developing chemical sensors. Additionally, it finds applications in semiconductor manufacturing as a reagent.

What precautions should be taken when handling 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7)?

When handling 2-Chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride (CAS: 55-86-7), it is essential to use appropriate personal protective equipment (PPE) such as safety glasses, gloves, and a lab coat. Handle this compound in a well-ventilated fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed handling procedures.