Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Chloro-1,3-dicyanobenzene

Related Products

Hot Products

Name

2-Chloro-1,3-dicyanobenzene

EINECS N/A
CAS No. 28442-78-6 Density 1.34 g/cm3
PSA 47.58000 LogP 2.08336
Solubility N/A Melting Point 154-156 °C
Formula C8H3ClN2 Boiling Point 294.4 °C at 760 mmHg
Molecular Weight 162.578 Flash Point 135.63 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 28442-78-6 (2-Chloroisophthalonitrile) Hazard Symbols N/A
Synonyms

Isophthalonitrile,2-chloro- (8CI);2-Chloroisophthalonitrile;

Article Data 3

2-Chloro-1,3-dicyanobenzene Specification

The 2-Chloro-1,3-dicyanobenzene with cas registry number of 28442-78-6, belongs to the following product categorie: Nitrile. It has the systematic name of 2-chlorobenzene-1,3-dicarbonitrile. And it IUPAC name is also 2-chlorobenzene-1,3-dicarbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 47.58 Å2; (7)Index of Refraction: 1.586; (8)Molar Refractivity: 40.71 cm3; (9)Molar Volume: 121.2 cm3; (10)Polarizability: 16.14×10-24cm3; (11)Surface Tension: 60.1 dyne/cm; (12)Enthalpy of Vaporization: 53.4 kJ/mol; (13)Vapour Pressure: 0.00163 mmHg at 25°C.

Preparation: this chemical can be prepared by Benzene-1-nitro-2,6-dicyano. This reaction will need reagent LiCl and solvent dimethylsulfoxide. The reaction time is 2.5 hour(s) with reaction temperature of 110 ℃. The yield is about 60%.

Uses of p-Chloropropiophenone: it can be used to 2-chloro-isophthalic acid. This reaction will need reagent H2SO4, AcOH. The reaction time is 5 hour(s). The yield is about 45%.

You can still convert the following datas into molecular structure: 
(1)SMILES: N#Cc1cccc(C#N)c1Cl;
(2)InChI: InChI=1/C8H3ClN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H;
(3)InChIKey: KELQMIQLTBTJNV-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C8H3ClN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H;
(5)Std. InChIKey: KELQMIQLTBTJNV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 300mg/kg (300mg/kg)   Journal of Medicinal Chemistry. Vol. 21, Pg. 906, 1978.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 28442-78-6