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1,2-Benzenedicarbonitrile, 4-chloro-

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Name

1,2-Benzenedicarbonitrile, 4-chloro-

EINECS 241-635-5
CAS No. 17654-68-1 Density 1.34 g/cm3
PSA 47.58000 LogP 2.08336
Solubility N/A Melting Point 130-132 °C
Formula C8H3ClN2 Boiling Point 306.4 °C at 760 mmHg
Molecular Weight 162.578 Flash Point 144 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17654-68-1 (4-chloro-1,2-dicyanobenzene) Hazard Symbols N/A
Synonyms

Phthalonitrile,4-chloro- (8CI);4-Chloro-1,2-benzenedicarbonitrile;4-Chloro-1,2-dicyanobenzene;4-Chlorophthalodinitrile;4-Chlorophthalonitrile;NSC 27005;

Article Data 7

1,2-Benzenedicarbonitrile, 4-chloro- Specification

This chemical is called 1,2-Benzenedicarbonitrile, 4-chloro-, and its systematic name is 4-Chloro-1,2-dicyanobenzene. With the molecular formula of C8H3ClN2, its molecular weight is 162.58. The CAS registry number of this chemical is 17654-68-1.

Other characteristics of the 1,2-Benzenedicarbonitrile, 4-chloro- can be summarised as followings: (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): 11.79; (6)ACD/BCF (pH 7.4): 11.79; (7)ACD/KOC (pH 5.5): 203.5; (8)ACD/KOC (pH 7.4): 203.5; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.58 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 40.71 cm3; (15)Molar Volume: 121.2 cm3; (16)Polarizability: 16.14×10-24cm3; (17)Surface Tension: 60.1 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 144 °C; (20)Enthalpy of Vaporization: 54.69 kJ/mol; (21)Boiling Point: 306.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000775 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1c(C#N)cc(Cl)cc1
2.InChI: InChI=1/C8H3ClN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
3.InChIKey: SZSLISKYJBQHQC-UHFFFAOYAO

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