Methyl-4-iodo-3-hydroxy benzoate supplier

Name
METHYL-4-IODO-3-HYDROXY BENZOATE
EINECS
CAS No. 157942-12-6
Article Data35
CAS DataBase
Density 1.881 g/cm³
Solubility Slightly soluble in water.
Melting Point 53-54 °C
Formula C₈H₇IO₃
Boiling Point 299.288 °C at 760 mmHg
Molecular Weight 278.046
Flash Point 134.805 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Hydroxy-4-iodobenzoicacid methyl ester;Methyl 3-hydroxy-4-iodobenzoate;
PSA 46.53000
LogP 1.78340

Methyl-4-iodo-3-hydroxy benzoate Specification

The Benzoic acid,3-hydroxy-4-iodo-, methyl ester is an organic compound with the formula C₈H₇IO₃. The IUPAC name of this chemical is Methyl 3-hydroxy-4-iodobenzoate. With the CAS registry number 157942-12-6, it is also named as 3-Hydroxy-4-iodobenzoic acid methyl ester. Besides, its molecular weight is 278.04.

Physical properties about Benzoic acid,3-hydroxy-4-iodo-, methyl ester are: (1)ACD/LogP: 3.23; (2)ACD/LogD (pH 5.5): 3.22; (3)ACD/LogD (pH 7.4): 3.05; (4)ACD/BCF (pH 5.5): 165.89; (5)ACD/BCF (pH 7.4): 111.12; (6)ACD/KOC (pH 5.5): 1348.25; (7)ACD/KOC (pH 7.4): 903.13; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 52.81 cm³; (14)Molar Volume: 147.8 cm³; (15)Polarizability: 20.93×10^-24 cm³; (16)Surface Tension: 55 dyne/cm; (17)Density: 1.88 g/cm³; (18)Flash Point: 134.8 °C; (19)Enthalpy of Vaporization: 56.08 kJ/mol; (20)Boiling Point: 299.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000677 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
(2)InChIKey: LXCQVWRESZDFGW-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,10H,1H3
(4)Std. InChIKey: LXCQVWRESZDFGW-UHFFFAOYSA-N

Product Name

METHYL-4-IODO-3-HYDROXY BENZOATE

Methyl-4-iodo-3-hydroxy benzoate Specification

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