2-(2, 4-Dichlorobenzoyl)-3-(dimethylamino)acrylonitrile supplier

Name
2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-(2,4-DICHLOROPHENYL)PROPANENITRILE
EINECS
CAS No. 138716-56-0
Density 1.313 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀Cl₂N₂O
Boiling Point 473.974 °C at 760 mmHg
Molecular Weight 269.13
Flash Point 240.451 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-[(Dimethylamino)methylene]-3-oxo-3-(2, 4-dichlorophenyl)propanenitrile;
PSA 44.10000
LogP 3.14518

2-(2, 4-Dichlorobenzoyl)-3-(dimethylamino)acrylonitrile Specification

The 2-(2, 4-Dichlorobenzoyl)-3-(dimethylamino)acrylonitrile, with the CAS registry number 138716-56-0, is also known as 2-[(Dimethylamino)methylene]-3-oxo-3-(2, 4-dichlorophenyl)propanenitrile.This chemical's molecular formula is C₁₂H₁₀Cl₂N₂O and molecular weight is 269.13. What's more, its systematic name is 2-(2, 4-Dichlorobenzoyl)-3-(dimethylamino)prop-2-enenitrile. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-(2, 4-Dichlorobenzoyl)-3-(dimethylamino)acrylonitrile are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.854; (4)ACD/LogD (pH 7.4): 2.854; (5)ACD/BCF (pH 5.5): 86.89; (6)ACD/BCF (pH 7.4): 86.892; (7)ACD/KOC (pH 5.5): 850.204; (8)ACD/KOC (pH 7.4): 850.221; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 68.138 cm³; (15)Molar Volume: 204.945 cm³; (16)Polarizability: 27.012×10^-24 cm³; (17)Surface Tension: 48.452 dyne/cm; (18)Density: 1.313 g/cm³; (19)Flash Point: 240.451 °C; (20)Enthalpy of Vaporization: 73.721 kJ/mol; (21)Boiling Point: 473.974 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)C=C(C#N)C(=O)c1ccc(cc1Cl)Cl
(2) InChI: InChI=1/C12H10Cl2N2O/c1-16(2)7-8(6-15)12(17)10-4-3-9(13)5-11(10)14/h3-5,7H,1-2H3
(3) InChIKey: YZCIMQOXZWNHSQ-UHFFFAOYAU

Product Name

2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-(2,4-DICHLOROPHENYL)PROPANENITRILE

2-(2, 4-Dichlorobenzoyl)-3-(dimethylamino)acrylonitrile Specification

Related Products

Hot Products