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

Name
3-[(4-CHLOROPHENYL)AMINO]PROPANENITRILE
EINECS
CAS No. 41833-57-2
Article Data20
CAS DataBase
Density 1.226 g/cm³
Solubility
Melting Point 72-73 °C(Solv: ethanol (64-17-5))
Formula C₉H₉ClN₂
Boiling Point 381.3 °C at 760 mmHg
Molecular Weight 180.637
Flash Point 184.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionitrile,3-p-chloroanilino- (6CI);b-(p-Chloroanilino)propionitrile;
PSA 35.82000
LogP 2.73858

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

Product Name

3-[(4-CHLOROPHENYL)AMINO]PROPANENITRILE

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

Related Products

Hot Products