Ethanol, 2-iodo-,1-benzoate supplier

Name
ETHYL 2-IODOBENZOATE
EINECS
CAS No. 39252-69-2
Article Data7
CAS DataBase
Density 1.664g/cm³
Solubility
Melting Point
Formula C₉H₉IO₂
Boiling Point 299.1 °C at 760 mmHg
Molecular Weight 276.074
Flash Point 134.7 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols C
Synonyms Ethanol,2-iodo-, benzoate (6CI,9CI);2-Iodoethyl benzoate;Benzoic acid 2-iodoethylester;
PSA 26.30000
LogP 2.27840

Ethanol, 2-iodo-,1-benzoate Specification

The Ethanol, 2-iodo-,1-benzoate, with CAS registry number 39252-69-2, belongs to the following product categories: (1)Acids & Esters; (2)Iodine Compounds. It has the systematic name of 2-iodoethyl benzoate. And the chemical formula of this chemical is C₉H₉IO₂. When use this chemical, avoid contact with skin and eyes.

Physical properties of Ethanol, 2-iodo-,1-benzoate: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 26.3 Å²; (9)Index of Refraction: 1.599; (10)Molar Refractivity: 55.62 cm³; (11)Molar Volume: 162.6 cm³; (12)Polarizability: 22.05×10^-24cm³; (13)Surface Tension: 46.9 dyne/cm; (14)Density: 1.697 g/cm³; (15)Flash Point: 134.7 °C; (16)Enthalpy of Vaporization: 53.91 kJ/mol; (17)Boiling Point: 299.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00122 mmHg at 25°C.

Preparation: this chemical can be prepared by benzoyl chloride and 2-iodo-ethanol. This reaction will need reagent Et₃N and solvent diethyl ether. The reaction time is 2 hour(s) with reaction temperature of 20 ℃. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCI)c1ccccc1
(2)InChI: InChI=1/C9H9IO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
(3)InChIKey: HNQYNCREQXENCK-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H9IO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
(5)Std. InChIKey: HNQYNCREQXENCK-UHFFFAOYSA-N

Product Name

ETHYL 2-IODOBENZOATE

Ethanol, 2-iodo-,1-benzoate Specification

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