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| CAS No.: | 76241-79-7 |
|---|---|
| Name: | 3-chlorobenzene-1,2-dicarbonitrile |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H3ClN2 |
| Molecular Weight: | 162.578 |
| Synonyms: | 3-Chloro-1,2-dicyanobenzene;3-Chlorophthalodinitrile;3-Chlorophthalonitrile; |
| EINECS: | 278-398-2 |
| Density: | 1.34 g/cm3 |
| Melting Point: | 111-112.6 °C |
| Boiling Point: | 326.5 °C at 760 mmHg |
| Flash Point: | 157.9 °C |
| PSA: | 47.58000 |
| LogP: | 2.08336 |
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Specification
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