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CAS No.: | 175278-32-7 |
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Name: | 1,4-DICYANO-2-ETHYLBENZENE |
Molecular Structure: | |
Formula: | C10H8N2 |
Molecular Weight: | 156.18 |
Synonyms: | 2-ETHYLTEREPHTHALONITRILE;1,4-DICYANO-2-ETHYLBENZENE;1,4-Dicyano-2-ethylbenzene 98% |
Density: | 1.09 g/cm3 |
Melting Point: | 98-100 °C |
Boiling Point: | 294.8 °C at 760 mmHg |
Flash Point: | 136.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
PSA: | 47.58000 |
LogP: | 1.99236 |
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This chemical is called 1,4-Benzenedicarbonitrile, 2-ethyl-, and its systematic name is 2-ethylbenzene-1,4-dicarbonitrile. With the molecular formula of C10H8N2, its molecular weight is 156.18. The CAS registry number of this chemical is 175278-32-7.
Other characteristics of the 1,4-Benzenedicarbonitrile, 2-ethyl- can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.21; (6)ACD/BCF (pH 7.4): 18.21; (7)ACD/KOC (pH 5.5): 277.86; (8)ACD/KOC (pH 7.4): 277.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.58 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 45.14 cm3; (15)Molar Volume: 142.6 cm3; (16)Polarizability: 17.89×10-24cm3; (17)Surface Tension: 49.8 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 136.6 °C; (20)Enthalpy of Vaporization: 53.44 kJ/mol; (21)Boiling Point: 294.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1cc(c(C#N)cc1)CC
2.InChI: InChI=1/C10H8N2/c1-2-9-5-8(6-11)3-4-10(9)7-12/h3-5H,2H2,1H3
3.InChIKey: IYELWAPDJVBJLO-UHFFFAOYAT