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Name |
1,2-Benzenedicarbonitrile,3-chloro- |
EINECS | 278-398-2 |
CAS No. | 76241-79-7 | Density | 1.34 g/cm3 |
PSA | 47.58000 | LogP | 2.08336 |
Solubility | N/A | Melting Point |
111-112.6 °C |
Formula | C8H3ClN2 | Boiling Point | 326.5 °C at 760 mmHg |
Molecular Weight | 162.578 | Flash Point | 157.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Chloro-1,2-dicyanobenzene;3-Chlorophthalodinitrile;3-Chlorophthalonitrile; |
Article Data | 1 |
The 1,2-Benzenedicarbonitrile,3-chloro- is an organic compound with the formula C8H3ClN2. With the CAS registry number 76241-79-7, the IUPAC name of this chemical is 3-chlorobenzene-1,2-dicarbonitrile.
Physical properties about 1,2-Benzenedicarbonitrile,3-chloro- are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.73; (3)ACD/LogD (pH 7.4): 1.73; (4)ACD/BCF (pH 5.5): 12.21; (5)ACD/BCF (pH 7.4): 12.21; (6)ACD/KOC (pH 5.5): 208.68; (7)ACD/KOC (pH 7.4): 208.68; (8)#H bond acceptors: 2; (9)Polar Surface Area: 47.58 Å2; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 40.71 cm3; (12)Molar Volume: 121.2 cm3; (13)Polarizability: 16.14×10-24cm3; (14)Surface Tension: 60.1 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 157.9 °C; (17)Enthalpy of Vaporization: 56.87 kJ/mol; (18)Boiling Point: 326.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000215 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(C#N)cccc1Cl
(2)InChI: InChI=1/C8H3ClN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
(3)InChIKey: LZQGFZMYLYXXHI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H3ClN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H
(5)Std. InChIKey: LZQGFZMYLYXXHI-UHFFFAOYSA-N