2-Iodomethyl benzoic acid methyl ester supplier

Name
2-Iodomethyl benzoic acid methyl ester
EINECS
CAS No. 133772-18-6
Density 1.699 g/cm³
Solubility
Melting Point
Formula C₉H₉IO₂
Boiling Point 316.5 °C at 760 mmHg
Molecular Weight 276.074
Flash Point 145.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 2-iodomethylbenzoate;
PSA 26.30000
LogP 2.40820

2-Iodomethyl benzoic acid methyl ester Specification

The Benzoic acid, 2-(iodomethyl)-, methyl ester, with the CAS registry number 133772-18-6, is also known as 2-Iodomethyl benzoic acid methyl ester. This chemical's molecular formula is C₉H₉IO₂ and molecular weight is 276.07. What's more, its systematic name is Methyl 2-(iodomethyl)benzoate.

Physical properties about Benzoic acid, 2-(iodomethyl)-, methyl ester are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 141.37; (6)ACD/BCF (pH 7.4): 141.37; (7)ACD/KOC (pH 5.5): 1204.58; (8)ACD/KOC (pH 7.4): 1204.58; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 55.91 cm³; (15)Molar Volume: 162.4 cm³; (16)Polarizability: 22.16×10^-24 cm³; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.699 g/cm³; (19)Flash Point: 145.2 °C; (20)Enthalpy of Vaporization: 55.79 kJ/mol; (21)Boiling Point: 316.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000408 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ICc1ccccc1C(=O)OC
(2) InChI: InChI=1/C9H9IO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6H2,1H3
(3) InChIKey: DENYZYWKPPHKRY-UHFFFAOYAM

Product Name

2-Iodomethyl benzoic acid methyl ester

2-Iodomethyl benzoic acid methyl ester Specification

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