2-[(2-Chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide

Basic Information

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CAS Number

212631-79-3

Molecular Formula

C17H14ClF2IN2O2

Molecular Weight

478.66 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

176.0 to 180.0 deg-C

Density

1.7±0.1 g/cm3

Flash Point

No data available

Solubility

DMSO: ≥30mg/mL

SMILES

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C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl

InChI

InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)

InChIKey

GFMMXOIFOQCCGU-UHFFFAOYSA-N

LogP

5.037800000000002

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

472

Safety Information

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GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

HY-50295
CHEMBL105442
R3K9Y00J04
Tox21_113363_1
HMS3244G06
PD 184352CI-1040
BCP01791
HMS3244G05
SW219604-1
2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluoro-benzamide
DTXCID5028871
C.I. 1040
CI-1040
CI-1040,PD184352
212631-79-3
2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide, CI-1040
HMS3265I07
CI1040
PD 184,352
PD184352 (CI-1040)
2-(2-chloro-4-iodo-anilino)-N-(cyclopropylmethoxy)-3,4-difluoro-benzamide
MFCD02683961
HMS3265J08
NS00068490
NSC-765695
2-((2-Chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
Q27076005
PD 184352, Free Base
Benzamide, 2-((2-chloro-4-iodophenyl)amino)-N-(cyclopropylmethoxy)-3,4-difluoro-
2-[(2-Chloro-4-iodophenyl)amino]-N-cyclopropylmethoxy)-3,4-difluorobenzamide
HMS3265I08

MDL Number

MFCD02683961

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-[(2-Chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CAS: 212631-79-3)?

This compound is a crystalline solid with a molecular weight of approximately 532.07 g/mol. It is slightly soluble in water and organic solvents. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is not flammable but may react with strong oxidizing agents.

How is 2-[(2-Chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CAS: 212631-79-3) typically synthesized?

This compound can be synthesized via a multi-step process involving amino coupling and iodination reactions. Key steps include the preparation of the amino precursor, followed by iodination using iodine and a base. The reaction is typically carried out under anhydrous conditions and monitored by LC-MS or NMR to ensure yield and selectivity.

What industries use 2-[(2-Chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CAS: 212631-79-3)?

This compound is primarily used in the pharmaceutical industry for medicinal chemistry research, particularly in the development of new drugs. It may also find applications in the polymer industry for specific functionalization purposes. Its chemical properties make it suitable for use in sensor development and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 2-[(2-Chloro-4-iodophenyl)amino]-N-(cyclopropylmethoxy)-3,4-difluorobenzamide (CAS: 212631-79-3)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or within a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for specific handling instructions.