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CAS No.: | 91591-63-8 |
---|---|
Name: | 2,5-DICHLORO-4,6-DIMETHYLNICOTINONITRILE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H6Cl2N2 |
Molecular Weight: | 201.055 |
Synonyms: | NSC 341973; |
Density: | 1.36 g/cm3 |
Melting Point: | 82 °C |
Boiling Point: | 304.6 °C at 760 mmHg |
Flash Point: | 138 °C |
Appearance: | light brown solid |
Hazard Symbols: | Xi |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
Safety: | 26-36/37/39 |
PSA: | 36.68000 |
LogP: | 2.87688 |
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This chemical is called 3-Pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl-, and its systematic name is 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile. With the molecular formula of C8H6Cl2N2, its molecular weight is 201.05. The CAS registry number of this chemical is 91591-63-8.
Other characteristics of the 3-Pyridinecarbonitrile, 2,5-dichloro-4,6-dimethyl- can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 36.68 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 48.01 cm3; (9)Molar Volume: 147.4 cm3; (10)Polarizability: 19.03×10-24cm3; (11)Surface Tension: 53.8 dyne/cm; (12)Density: 1.36 g/cm3; (13)Flash Point: 138 °C; (14)Enthalpy of Vaporization: 54.49 kJ/mol; (15)Boiling Point: 304.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000867 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1c(c(Cl)c(nc1Cl)C)C
2.InChI: InChI=1/C8H6Cl2N2/c1-4-6(3-11)8(10)12-5(2)7(4)9/h1-2H3
3.InChIKey: UCGWYTUBYASPFG-UHFFFAOYAZ