3-Iodoisonicotinic acid supplier

Name
3-IODOISONICOTINIC ACID
EINECS
CAS No. 57842-10-1
Article Data13
CAS DataBase
Density 2.123 g/cm³
Solubility
Melting Point 205-210 °C
Formula C₆H₄INO₂
Boiling Point 435.7 °C at 760 mmHg
Molecular Weight 249.008
Flash Point 217.3 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Isonicotinicacid, 3-iodo- (6CI);3-Iodo-4-pyridinecarboxylic acid;
PSA 50.19000
LogP 1.38440

3-Iodoisonicotinic acid Specification

The 3-Iodoisonicotinic acid, with the CAS registry number 57842-10-1, is also known as 3-Iodo-4-pyridinecarboxylic acid. It belongs to the product category of Pyridines. This chemical's molecular formula is C₆H₄INO₂ and molecular weight is 249.01. What's more, both its IUPAC name and systematic name are the same which is called 3-Iodopyridine-4-carboxylic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It is used as intermediates of pyrondridin.

Physical properties about 3-Iodoisonicotinic acid are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.12; (4)ACD/LogD (pH 7.4): -2.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.19 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 44.18 cm³; (15)Molar Volume: 117.2 cm³; (16)Surface Tension: 69.9 dyne/cm; (17)Density: 2.123 g/cm³; (18)Flash Point: 217.3 °C; (19)Enthalpy of Vaporization: 72.95 kJ/mol; (20)Boiling Point: 435.7 °C at 760 mmHg; (21)Vapour Pressure: 2.31E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccncc1I
(2) InChI: InChI=1S/C6H4INO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
(3) InChIKey: MJSNRTLYWDXHAQ-UHFFFAOYSA-N

Product Name

3-IODOISONICOTINIC ACID

3-Iodoisonicotinic acid Specification

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