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41833-57-2

Basic Information
CAS No.: 41833-57-2
Name: 3-[(4-CHLOROPHENYL)AMINO]PROPANENITRILE
Article Data: 20
Molecular Structure:
Molecular Structure of 41833-57-2 (3-[(4-CHLOROPHENYL)AMINO]PROPANENITRILE)
Formula: C9H9ClN2
Molecular Weight: 180.637
Synonyms: Propionitrile,3-p-chloroanilino- (6CI);b-(p-Chloroanilino)propionitrile;
Density: 1.226 g/cm3
Melting Point: 72-73 °C(Solv: ethanol (64-17-5))
Boiling Point: 381.3 °C at 760 mmHg
Flash Point: 184.4 °C
PSA: 35.82000
LogP: 2.73858
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  • Propanenitrile,3-[(4-chlorophenyl)amino]-

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    41833-57-2

    Propanenitrile,3-[(4-chlorophenyl)amino]-

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • Propanenitrile,3-[(4-chlorophenyl)amino]-

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    Propanenitrile,3-[(4-chlorophenyl)amino]-

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  • Propanenitrile,3-[(4-chlorophenyl)amino]-

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    41833-57-2

    Propanenitrile,3-[(4-chlorophenyl)amino]-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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  • 3-[(4-CHLOROPHENYL)AMINO]PROPANENITRILE

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    41833-57-2

    3-[(4-CHLOROPHENYL)AMINO]PROPANENITRILE

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    3-[(4-CHLOROPHENYL)AMINO]PROPANENITRILEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The CAS registry number of Propanenitrile,3-[(4-chlorophenyl)amino]- is 41833-57-2. This chemical is also named as ZINC01792747. In addition, its molecular formula is C9H9ClN2 and molecular weight is 180.6342. Its IUPAC name is called 3-(4-chloroanilino)propanenitrile.

Physical properties about Propanenitrile,3-[(4-chlorophenyl)amino]- are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.74; (6)ACD/BCF (pH 7.4): 11.79; (7)ACD/KOC (pH 5.5): 202.72; (8)ACD/KOC (pH 7.4): 203.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 49.93 cm3; (14)Molar Volume: 147.2 cm3; (15)Surface Tension: 49.1 dyne/cm; (16)Density: 1.226 g/cm3; (17)Flash Point: 184.4 °C; (18)Enthalpy of Vaporization: 62.95 kJ/mol; (19)Boiling Point: 381.3 °C at 760 mmHg.

Uses of Propanenitrile,3-[(4-chlorophenyl)amino]-: it can be used to produce 2-[2-(4-chloro-phenylamino)-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylamine. It will need reagent HCl gas and solvent dioxane with reaction time of 6 hours. The yield is about 69 %.

Propanenitrile,3-[(4-chlorophenyl)amino]- can be used to produce 2-[2-(4-chloro-phenylamino)-ethyl]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-ylamine

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NCCC#N)cc1
(2)InChI: InChI=1/C9H9ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,12H,1,7H2
(3)InChIKey: CNFGGHYTGAQWEQ-UHFFFAOYAT