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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 | 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 |
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