CAS No.31930-36-6,CIS-3-IODOACRYLIC ACID ETHYL ESTER Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	31930-36-6
Name:	CIS-3-IODOACRYLIC ACID ETHYL ESTER
Article Data:	38

Formula:	C₅H₇IO₂
Molecular Weight:	226.014
Synonyms:	2-Propenoicacid, 3-iodo-, ethyl ester, (Z)-;Acrylic acid, 3-iodo-, ethyl ester, (Z)-(8CI);(2Z)-3-Iodo-2-propenoic acid ethyl ester;(Z)-3-Iodo-2-propenoic acidethyl ester;(Z)-Ethyl 3-iodoacrylate;Ethyl (Z)-3-iodo-2-propenoate;Ethyl(Z)-3-iodoacrylate;Ethyl (Z)-b-iodoacrylate;Ethyl cis-3-iodoacrylate;Ethyl (2Z)-3-iodoprop-2-enoate;
Density:	1.779 g/cm³
Boiling Point:	198.5 °C at 760 mmHg
Flash Point:	73.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	26.30000
LogP:	1.49820

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Specification

The 2-Propenoic acid,3-iodo-, ethyl ester, (2Z)-, with the CAS registry number 31930-36-6, is also known as cis-3-Iodoacrylic acid ethyl ester. It belongs to the product categories of C₂ to C₅; Carbonyl Compounds; Esters. This chemical's molecular formula is C₅H₇IO₂ and molecular weight is 226.01. What's more, its systematic name is Ethyl (2Z)-3-iodoprop-2-enoate. The product should be sealed and stored at cold temperatures.

Physical properties of 2-Propenoic acid,3-iodo-, ethyl ester, (2Z)- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.41; (6)ACD/BCF (pH 7.4): 23.41; (7)ACD/KOC (pH 5.5): 332.58; (8)ACD/KOC (pH 7.4): 332.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 40.01 cm³; (15)Molar Volume: 126.9 cm³; (16)Polarizability: 15.86×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.779 g/cm³; (19)Flash Point: 73.8 °C; (20)Enthalpy of Vaporization: 43.47 kJ/mol; (21)Boiling Point: 198.5 °C at 760 mmHg; (22)Vapour Pressure: 0.359 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: I[C@H]=CC(=O)OCC
(2)InChI: InChI=1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
(3)InChIKey: AELYFQSZXFFNGP-ARJAWSKDSA-N