Acetic acid, 2-iodo-,ethenyl ester supplier

Name
VINYL IODOACETATE
EINECS
CAS No. 52590-49-5
Article Data2
CAS DataBase
Density 1.893 g/cm³
Solubility
Melting Point
Formula C₄H₅IO₂
Boiling Point 171.8 °C at 760 mmHg
Molecular Weight 211.987
Flash Point 57.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, iodo-, ethenyl ester (9CI);Acetic acid, iodo-, vinyl ester (7CI);Ethenyl iodoacetate;
PSA 26.30000
LogP 1.10810

Acetic acid, 2-iodo-,ethenyl ester Specification

The Acetic acid, 2-iodo-,ethenyl ester with CAS registry number of 52590-49-5 is also known as Acetic acid, iodo-, vinyl ester (7CI). The systematic name is Ethenyl iodoacetate. In addition, the formula is C₄H₅IO₂ and the molecular weight is 211.99.

Physical properties about Acetic acid, 2-iodo-,ethenyl ester are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.18; (6)ACD/BCF (pH 7.4): 13.18; (7)ACD/KOC (pH 5.5): 220.37; (8)ACD/KOC (pH 7.4): 220.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 35.04 cm³; (15)Molar Volume: 111.9 cm³; (16)Polarizability: 13.89×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 1.893 g/cm³; (19)Flash Point: 57.7 °C; (20)Enthalpy of Vaporization: 40.82 kJ/mol; (21)Boiling Point: 171.8 °C at 760 mmHg; (22)Vapour Pressure: 1.37 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: ICC(=O)OC=C
2. InChI: InChI=1/C4H5IO2/c1-2-7-4(6)3-5/h2H,1,3H2
3. InChIKey: RZBCQRXLQOFZBP-UHFFFAOYAH
4. Std. InChI: InChI=1S/C4H5IO2/c1-2-7-4(6)3-5/h2H,1,3H2
5. Std. InChIKey: RZBCQRXLQOFZBP-UHFFFAOYSA-N

Product Name

VINYL IODOACETATE

Acetic acid, 2-iodo-,ethenyl ester Specification

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