CAS No.912575-12-3,2-AMINO-5-IODOBENZONIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	912575-12-3
Name:	2-AMINO-5-IODOBENZONIC ACID ETHYL ESTER

Formula:	C₉H₁₀INO₂
Molecular Weight:	305.115
Synonyms:	2-Amino-4-ethyl-5-iodobenzoicacid methyl ester;Ethyl 2-amino-5-iodobenzoate;
Density:	1.73 g/cm³
Melting Point:	70-72 °C
Boiling Point:	347.9 °C at 760 mmHg
Flash Point:	164.2 °C
Appearance:	Light yellow solid
Hazard Symbols:	Xi
PSA:	52.32000
LogP:	2.80360

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Specification

The systematic name of 2-Amino-5-iodobenzoic acid ethyl ester is Ethyl 2-amino-5-iodo-benzoate. With the CAS registry number 912575-12-3, it is also named as Benzoic acid,2-amino-4-ethyl-5-iodo-, methyl ester. The product's categories are Organic Intermediates; Pesticide Intermediates; Essence and Spice Intermediates. Besides, it is light yellow solid, which is used as intermediate in organic syntheses. In addition, its molecular formula is C₉H₁₀INO₂ and molecular weight is 291.09.

The other characteristics of 2-Amino-5-iodobenzoic acid ethyl ester can be summarized as: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)H bond acceptors: 3; (6)H bond donors: 2; (7)Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.32 Å²; (9)Index of Refraction: 1.629; (10)Molar Refractivity: 59.8 cm³; (11)Molar Volume: 168.1 cm³; (12)Polarizability: 23.7×10^-24cm³; (13)Surface Tension: 52.7 dyne/cm; (14)Density: 1.73 g/cm³; (15)Flash Point: 164.2 °C; (16)Melting point: 70-72 °C; (17)Enthalpy of Vaporization: 59.22 kJ/mol; (18)Boiling Point: 347.9 °C at 760 mmHg; (19)Vapour Pressure: 5.23E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OCC)c1cc(I)ccc1N
(2)InChI:InChI=1/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(3)InChIKey:FPCLHSGOJPEKKE-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C9H10INO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
(5)Std. InChIKey:FPCLHSGOJPEKKE-UHFFFAOYSA-N