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CAS No.: | 20264-96-4 |
---|---|
Name: | 1-(2-Iodo-ethyl)-4-nitro-benzene |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H8INO2 |
Molecular Weight: | 277.062 |
Synonyms: | 1-(2-IODO-ETHYL)-4-NITRO-BENZENE |
Density: | 1.811 g/cm3 |
Boiling Point: | 337.7 °C at 760 mmHg |
Flash Point: | 158.1 °C |
PSA: | 45.82000 |
LogP: | 3.09550 |
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The 1-(2-Iodo-ethyl)-4-nitro-benzene is an organic compound with the formula C8H8INO2. With the CAS registry number 20264-96-4, the systematic name of this chemical is 1-(2-iodoethyl)-4-nitrobenzene.
Physical properties about 1-(2-Iodo-ethyl)-4-nitro-benzene are: (1)ACD/LogP: 3.34; (2)ACD/LogD (pH 5.5): 3.34; (3)ACD/LogD (pH 7.4): 3.34; (4)ACD/BCF (pH 5.5): 201.99; (5)ACD/BCF (pH 7.4): 201.99; (6)ACD/KOC (pH 5.5): 1555.13; (7)ACD/KOC (pH 7.4): 1555.13; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 45.82 Å2; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 55.31 cm3; (13)Molar Volume: 152.9 cm3; (14)Polarizability: 21.92×10-24cm3; (15)Surface Tension: 53.3 dyne/cm; (16)Density: 1.811 g/cm3; (17)Flash Point: 158.1 °C; (18)Enthalpy of Vaporization: 55.8 kJ/mol; (19)Boiling Point: 337.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000201 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICCc1ccc(cc1)[N+]([O-])=O
(2)InChI: InChI=1/C8H8INO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2
(3)InChIKey: SRYFPKKLUIWUGW-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H8INO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2
(5)Std. InChIKey: SRYFPKKLUIWUGW-UHFFFAOYSA-N