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1-(2-Iodo-ethyl)-4-nitro-benzene

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Name

1-(2-Iodo-ethyl)-4-nitro-benzene

EINECS N/A
CAS No. 20264-96-4 Density 1.811 g/cm3
PSA 45.82000 LogP 3.09550
Solubility N/A Melting Point N/A
Formula C8H8INO2 Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 277.062 Flash Point 158.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20264-96-4 (1-(2-Iodo-ethyl)-4-nitro-benzene) Hazard Symbols N/A
Synonyms

1-(2-IODO-ETHYL)-4-NITRO-BENZENE

Article Data 17

1-(2-Iodo-ethyl)-4-nitro-benzene Specification

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

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