Glycine,N-(2-iodobenzoyl)- supplier

Name
2'-IODOHIPPURIC ACID
EINECS 205-693-5
CAS No. 147-58-0
Article Data3
CAS DataBase
Density 1.871 g/cm³
Solubility
Melting Point 170-172 °C(lit.)
Formula C₉H₈INO₃
Boiling Point 480.9 °C at 760 mmHg
Molecular Weight 305.072
Flash Point 244.6 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Iodohippuricacid;
PSA 66.40000
LogP 1.49650

Glycine,N-(2-iodobenzoyl)- Specification

The Glycine,N-(2-iodobenzoyl)-, with the CAS registry number of 147-58-0, is also known as Iodohippuricacid. Its EINECS registry number is 205-693-5. This chemical's molecular formula is C₉H₈INO₃ and molecular weight is 305.07. What's more, its IUPAC name is 2-[(2-Iodobenzoyl)amino]acetic acid. The dust of this chemical can not be breathed. And it should avoid contacting with skin and eyes. This chemical's classification code is Contrast media.

Physical properties about the Glycine,N-(2-iodobenzoyl)- are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.14; (4)ACD/LogD (pH 7.4): -2.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.643; (13)Molar Refractivity: 58.97 cm³; (14)Molar Volume: 162.9 cm³; (15)Surface Tension: 62.1 dyne/cm; (16)Density: 1.871 g/cm³; (17)Flash Point: 244.6 °C; (18)Enthalpy of Vaporization: 78.52 kJ/mol; (19)Boiling Point: 480.9 °C at 760 mmHg; (20)Vapour Pressure: 4.67E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1I)NCC(=O)OA
(2) InChI: InChI=1/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
(3) InChIKey: CORFWQGVBFFZHF-UHFFFAOYAO

Product Name

2'-IODOHIPPURIC ACID

Glycine,N-(2-iodobenzoyl)- Specification

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