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| CAS No.: | 168280-46-4 |
|---|---|
| Name: | 1,3,5-CYCLOHEXANETRICARBONITRILE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H9N3 |
| Molecular Weight: | 159.191 |
| Synonyms: | 1,3,5-CYCLOHEXANETRICARBONITRILE;1,3,5-TRICYANOCYCLOHEXANE;(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarbonitrile;(1alpha,3alpha,5alpha)-1,3,5-Tricyanocyclohexane;(1α,3α,5α)-1,3,5-Cyclohexanetricarbonitrile |
| Density: | 1.11 g/cm3 |
| Melting Point: | 170 °C |
| Boiling Point: | 421.7 °C at 760 mmHg |
| Flash Point: | 220.8 °C |
| PSA: | 71.37000 |
| LogP: | 1.58964 |
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Specification
The 1,3,5-Cyclohexanetricarbonitrile,(1α,3α,5α)- is an organic compound with the formula C9H9N3. The systematic name of this chemical is Cyclohexane-1,3,5-tricarbonitrile. With the CAS registry number 168280-46-4, it is also named as (1α,3α,5α)-1,3,5-Cyclohexanetricarbonitrile. The product's categories are Dinitriles and Trinitriles; Trinitriles. Besides, its molecular weight is 159.19.
Physical properties about 1,3,5-Cyclohexanetricarbonitrile,(1α,3α,5α)- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 6.48; (4)ACD/KOC (pH 7.4): 6.48; (5)#H bond acceptors: 3 ; (6)Polar Surface Area: 71.37 Å2; (7)Index of Refraction: 1.494; (8)Molar Refractivity: 41.43 cm3; (9)Molar Volume: 142.1 cm3; (10)Polarizability: 16.42×10-24 cm3; (11)Surface Tension: 52.6 dyne/cm; (12)Density: 1.11 g/cm3; (13)Flash Point: 220.8 °C; (14)Enthalpy of Vaporization: 67.57 kJ/mol; (15)Boiling Point: 421.7 °C at 760 mmHg; (16)Vapour Pressure: 2.56E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-3H2
(2)InChIKey: VMUOSHREZKXCIV-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C9H9N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h7-9H,1-3H2
(4)Std. InChIKey: VMUOSHREZKXCIV-UHFFFAOYSA-N