N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide

Basic Information

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CAS Number

29110-47-2

Molecular Formula

C9H9Cl2N3O

Molecular Weight

246.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

227-230?C

SMILES

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C1=CC(=C(C(=C1)Cl)CC(=O)N=C(N)N)Cl

InChI

InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)

InChIKey

INJOMKTZOLKMBF-UHFFFAOYSA-N

LogP

1.5455700000000003

Topological Polar Surface Area

78.97 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

256

Synonyms & References

English

NCGC00015469-06
AB01563079_01
CAS_29110-47-2
DB01018
Tenex (Salt/Mix)
Guanfacine (INN)
NCGC00015469-01
EN300-243924
GTPL522
NCGC00015469-02
Estulic (Salt/Mix)
(2,6-dichlorophenylacetyl)-guanidine
SCHEMBL35094
NS00008810
C07037
HY-17416A
NCGC00015469-05
A918619
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
FT-0669068
CHEBI:5558
N-(Diaminomethyliden)-2-(2,6-dichlorophenyl)acetamid
29110-47-2
Guanfacine [INN:BAN]
DTXCID7026944
CHEMBL862
[(2,6-Dichlorophenyl)acetyl]guanidine hydrochloride;Guanfacine HCl
Estulic (TN)
BRD-K32830106-003-11-3
Prestwick1_000339
N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide

MDL Number

MFCD00865944

Customs Code

2925290090

FAQ

What are the physical and chemical properties of N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide (CAS: 29110-47-2)?

N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide is a white crystalline solid with a molecular weight of approximately 331.02 g/mol. It has a low water solubility and is moderately soluble in organic solvents like methanol and acetonitrile. This compound is chemically stable but may react with bases and reduce the pH during storage. It is susceptible to hydrolysis under acidic conditions.

How is N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide (CAS: 29110-47-2) typically synthesized?

N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide is synthesized via the chlorination of 2-aminophenyl acetamide followed by the carbamimidoylation reaction. The process typically involves the use of thionyl chloride as a chlorinating agent and carbonyldiimidazole (CDI) as the carbamimidoylating agent. The yield is usually around 70-80%, and the reaction is carried out under anhydrous conditions to avoid side reactions.

What industries use N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide (CAS: 29110-47-2)?

N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide is primarily used in the pharmaceutical and agrochemical industries for the production of various active pharmaceutical ingredients (APIs) and herbicides. It is also utilized in the sensor and semiconductor industries for specific applications requiring high purity and stability.

What precautions should be taken when handling N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide (CAS: 29110-47-2)?

When handling N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be performed in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed information on handling, storage, and disposal procedures.