Name: 4-chloro-1,2-dicyanobenzene
SKU: 17654-68-1

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Basic Information

Molecular Structure:
CAS No.:	17654-68-1
Name:	4-chloro-1,2-dicyanobenzene
Article Data:	7

Formula:	C₈H₃ClN₂
Molecular Weight:	162.578
Synonyms:	Phthalonitrile,4-chloro- (8CI);4-Chloro-1,2-benzenedicarbonitrile;4-Chloro-1,2-dicyanobenzene;4-Chlorophthalodinitrile;4-Chlorophthalonitrile;NSC 27005;
EINECS:	241-635-5
Density:	1.34 g/cm³
Melting Point:	130-132 °C
Boiling Point:	306.4 °C at 760 mmHg
Flash Point:	144 °C
PSA:	47.58000
LogP:	2.08336

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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