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594-00-3

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Basic Information
CAS No.: 594-00-3
Name: 1-CHLORO-1-IODO ETHANE
Article Data: 7
Molecular Structure:
Molecular Structure of 594-00-3 (1-CHLORO-1-IODO ETHANE)
Formula: C2H4ClI
Molecular Weight: 190.411
Synonyms: 1-Chloro-1-iodoethane;
Density: 2.067 g/cm3
Boiling Point: 113.175 °C at 760 mmHg
Flash Point: 22.248 °C
PSA: 0.00000
LogP: 2.00620
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Specification

The Ethane, 1-chloro-1-iodo- (7CI, 8CI, 9CI), with the CAS registry number of 594-00-3, is also known as Chloroiodoethane. This chemical's molecular formula is C2H4ClI and molecular weight is 190.41063. What's more, its systematic name is called 1-Chloro-1-iodoethane.

Physical properties about Ethane, 1-chloro-1-iodo- (7CI, 8CI, 9CI) are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.544; (8)Molar Refractivity: 29.092 cm3; (9)Molar Volume: 92.136 cm3; (10)Surface Tension: 33.422 dyne/cm; (11)Density: 2.067 g/cm3; (12)Flash Point: 22.248 °C; (13)Enthalpy of Vaporization: 33.713 kJ/mol; (14)Boiling Point: 113.175 °C at 760 mmHg; (15)Vapour Pressure: 24.872 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(I)C
(2) InChI: InChI=1/C2H4ClI/c1-2(3)4/h2H,1H3
(3) InChIKey: RYAGQMSEMGVLGY-UHFFFAOYAA