1,4-Benzenedicarbonitrile, 2-ethyl- supplier

Name
1,4-DICYANO-2-ETHYLBENZENE
EINECS
CAS No. 175278-32-7
Density 1.09 g/cm³
Solubility
Melting Point 98-100 °C
Formula C₁₀H₈N₂
Boiling Point 294.8 °C at 760 mmHg
Molecular Weight 156.18
Flash Point 136.6 °C
Transport Information
Appearance
Safety
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-ETHYLTEREPHTHALONITRILE;1,4-DICYANO-2-ETHYLBENZENE;1,4-Dicyano-2-ethylbenzene 98%
PSA 47.58000
LogP 1.99236

1,4-Benzenedicarbonitrile, 2-ethyl- Specification

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

Product Name

1,4-DICYANO-2-ETHYLBENZENE

1,4-Benzenedicarbonitrile, 2-ethyl- Specification

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