3,5-Diiodo-4-pyridone-N-acetic acid supplier

Name
3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID
EINECS 202-932-5
CAS No. 101-29-1
Density 2.68 g/cm³
Solubility 2.787g/L(temperature not stated)
Melting Point 244 °C (dec.)
Formula C₇H₅I₂NO₃
Boiling Point 422.8 °C at 760 mmHg
Molecular Weight 404.931
Flash Point 209.5 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:;
Synonyms 1,4-Dihydro-3,5-diiodo-4-oxo-1-pyridylacetic acid;3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid;Diodone acid;NSC 60718;Pelvirinic acid;Umbradilic acid;(3,5-Diiodo-4-oxopyridin-1(4H)-yl)acetic acid;
PSA 59.30000
LogP 1.14210

3,5-Diiodo-4-pyridone-N-acetic acid Specification

The 1(4H)-Pyridineaceticacid, 3,5-diiodo-4-oxo-, with the CAS registry number 101-29-1, is also known as 1,4-Dihydro-3,5-diiodo-4-oxo-1-pyridylacetic acid. Its EINECS number is 202-932-5. This chemical's molecular formula is C₇H₅I₂NO₃ and molecular weight is 404.93. What's more, its systematic name is (3,5-diiodo-4-oxopyridin-1(4H)-yl)acetic acid.

Physical properties of 1(4H)-Pyridineaceticacid, 3,5-diiodo-4-oxo- are: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.46; (4)ACD/LogD (pH 7.4): -2.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.83; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 63.28 cm³; (15)Molar Volume: 150.8 cm³; (16)Polarizability: 25.08×10^-24cm³; (17)Surface Tension: 81.8 dyne/cm; (18)Density: 2.68 g/cm³; (19)Flash Point: 209.5 °C; (20)Enthalpy of Vaporization: 74.26 kJ/mol; (21)Boiling Point: 422.8 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN/1/C=C(/I)C(=O)C(\I)=C\1
(2)InChI: InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)
(3)InChIKey: PVBALTLWZVEAIO-UHFFFAOYSA-N

Product Name

3,5-DIIODO-4-PYRIDONE-1-ACETIC ACID

3,5-Diiodo-4-pyridone-N-acetic acid Specification

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