N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (1:1)

Basic Information

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CAS Number

4205-91-8

Molecular Formula

C9H10Cl3N3

Molecular Weight

266.56 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

312°C

Boiling Point

319.3 °C at760mmHg

Density

1.3900

Water Solubility

Soluble in water (50 mg/ml), DMSO (75 mM), methanol, chloroform (slightly), and dehydrated alcohol.

Flash Point

146.9 °C

Solubility

H2O: 50 mg/mL, clear, colorless

Vapor Pressure

No data available

SMILES

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C1CN=C(N1)NC2=C(C=CC=C2Cl)Cl.Cl

InChI

InChI=1S/C9H9Cl2N3.ClH/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9;/h1-3H,4-5H2,(H2,12,13,14);1H

InChIKey

ZNIFSRGNXRYGHF-UHFFFAOYSA-N

LogP

2.7863000000000007

Topological Polar Surface Area

36.42 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

222

Safety Information

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GHS Hazard Pictograms

H301

H330

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H330 Fatal if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in mice, rats (mg/kg): 328, 270 orally; 18, 29 i.v. (Walland)

Synonyms & References

English

CLONIDINE HYDROCHLORIDE [EP MONOGRAPH]
Bapresan
NCGC00260953-01
CCG-40087
FT-0665123
DTXSID8044670
CLONIDINE HYDROCHLORIDE [WHO-DD]
CAS-4205-91-8
Duraclon
Trialox
SR-01000075246
2-(2,6-Dichlorophenylamino)-2-imidazolin hydrochlorid
CLONIDINE HYDROCHLORIDE [USP-RS]
HMS3678H03
2-[(2,6-Dichlorophenyl)amino-2-imidazoline hydrochloride
MLS000758256
CLONIDINE HYDROCHLORIDE [EP IMPURITY]
Q27292429
Clonidine HCI
s2458
CLONIDINE HYDROCHLORIDE COMPONENT OF COMBIPRES
NSC-756699
CLONIDINE HYDROCHLORIDE COMPONENT OF CLORPRES
Q-200880
UNII-W76I6XXF06
Tox21_500268
BDBM50020341
Isoglaucon
Clonidine HCl
C 7897
Prestwick_73

MDL Number

MFCD00036705

Customs Code

2933290090

FAQ

What is N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8)?

N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8) is a synthetic chemical compound with the molecular formula C9H9Cl3N2. It is a white crystalline solid, commonly used as an intermediate in pharmaceutical synthesis. The compound features a dichlorophenyl group attached to an imidazolidinimine ring, with hydrochloride salt formation enhancing its solubility in aqueous media.

What are the main uses of N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8)?

N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8) is primarily utilized in pharmaceutical research for synthesizing antihistaminic and anticholinergic drugs. It also serves as a key intermediate in agrochemicals and organic synthesis. Its applications include drug development, chemical manufacturing, and laboratory research due to its reactivity and structural versatility.

Is N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8) safe?

N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8) requires careful handling due to potential toxicity. It may cause skin and eye irritation, and inhalation could lead to respiratory issues. Safety standards recommend using personal protective equipment (PPE), ensuring proper ventilation, and following OSHA guidelines. Always adhere to safety protocols when working with this compound to minimize exposure risks.

How should N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8) be stored?

Store N-(2,6-Dichlorophenyl)-2-imidazolidinimine hydrochloride (CAS: 4205-91-8) in a cool, dry place away from moisture and light. Maintain it in a sealed container to prevent exposure to air and contaminants. The compound is stable under standard storage conditions but should be kept at temperatures below 25°C. Avoid contact with incompatible substances to ensure safety and longevity.