Benzoic acid, 4-amino-3-iodo-, ethyl ester supplier

Name
ethyl 4-amino-3-iodobenzoate
EINECS
CAS No. 62875-84-7
Article Data28
CAS DataBase
Density 1.73 g/cm³
Solubility
Melting Point 82.6-83.0 °C
Formula C₉H₁₀INO₂
Boiling Point 378.8 °C at 760 mmHg
Molecular Weight 291.088
Flash Point 182.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Amino-3-iodobenzoic acid, ethyl ester;
PSA 52.32000
LogP 2.63130

Benzoic acid, 4-amino-3-iodo-, ethyl ester Specification

The Benzoic acid, 4-amino-3-iodo-, ethyl ester, with the CAS registry number 62875-84-7, is also known as 4-Amino-3-iodobenzoic acid, ethyl ester. This chemical's molecular formula is C₉H₁₀INO₂ and molecular weight is 291.0857. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 4-amino-3-iodobenzoate.

Physical properties about Benzoic acid, 4-amino-3-iodo-, ethyl ester are: (1)ACD/LogP: 3.38; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 219.42; (6)ACD/BCF (pH 7.4): 219.42; (7)ACD/KOC (pH 5.5): 1650.04; (8)ACD/KOC (pH 7.4): 1650.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 59.8 cm³; (15)Molar Volume: 168.1 cm³; (16)Polarizability: 23.7×10^-24 cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.73 g/cm³; (19)Flash Point: 182.9 °C; (20)Enthalpy of Vaporization: 62.68 kJ/mol; (21)Boiling Point: 378.8 °C at 760 mmHg; (22)Vapour Pressure: 6.11E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C(=O)OCC)ccc1N
(2) InChI: InChI=1/C9H10INO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3
(3) InChIKey: ICFCBYVKPRHTPR-UHFFFAOYAM

Product Name

ethyl 4-amino-3-iodobenzoate

Benzoic acid, 4-amino-3-iodo-, ethyl ester Specification

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