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4-(5-CHLORO-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE

4-(5-CHLORO-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE structure

CAS No:
39861-21-7
Formula:
C13H10ClN3
Chemical Name:
4-(5-CHLORO-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE
Synonyms:
4-(5-Chloro-1H-benzoimidazol-2-yl)-phenylamine;4-(5-Chloro-1H-benzo[d]imidazol-2-yl)aniline;4-(5-Chloro-1H-benzoimidazol-2-yl)phenylamine;4-(6-chloro-1H-benzimidazol-2-yl)aniline;4-(5-chloro-1h-benzimidazol-2-yl)aniline;SCHEMBL5761334;CTK7D7313;CTK8F5412;DTXSID40356836;ALBB-033324
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-(5-CHLORO-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE Basic Attributes

Molecular Weight：

243.69

Exact Mass：

243.056

DSSTox ID：

DTXSID40356836

HScode：

2933290090

Characteristics

PSA：

54.7

XLogP3：

3.2

Boiling Point：

494.6±51.0°C at 760 mmHg

Safety Information

Hazard category：

IRRITANT

Marks：

4-(5-CHLORO-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE Use and Manufacturing

General procedure: Eaton’s reagent (10 vol; wt/vol)) was added drop wise to a wellpulverised mixture of the corresponding 1, 2-phenylenediamine(2a–e)/1, 2-diaminopyridine (2f) (1 equiv) and 4-amino benzoicacid (1 equiv) at 0 C. The reaction mixture was then heated at130 C for 5–6 h (monitored by TLC and LCMS for completion).The reaction mixture was cooled and neutralised with 10percent sodiumhydroxide solution to pH of 6–7, the precipitate formed was filteredand washed repeatedly with water and dried. The solidobtained was recrystallized from ethanol to afford the desiredproduct in good yield as described below.

Computed Properties

Molecular Weight:243.69
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:243.0563250
Monoisotopic Mass:243.0563250
Topological Polar Surface Area:54.7
Heavy Atom Count:17
Complexity:265
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(5-CHLORO-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

4-(5-CHLORO-1H-BENZOIMIDAZOL-2-YL)-PHENYLAMINE

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