Pyridine,3-iodo-4-methyl- supplier

Name
Pyridine, 3-iodo-4-methyl- (9CI)
EINECS
CAS No. 38749-96-1
Article Data6
CAS DataBase
Density 1.81 g/cm³
Solubility
Melting Point 160 °C(Solv: ligroine (8032-32-4))
Formula C₆H₆IN
Boiling Point 240.3 °C at 760 mmHg
Molecular Weight 219.025
Flash Point 99.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Iodo-4-methylpyridine;4-Picoline,3-iodo- (6CI);
PSA 12.89000
LogP 1.99460

Pyridine,3-iodo-4-methyl- Specification

The Pyridine,3-iodo-4-methyl-, with CAS registry number 38749-96-1, belongs to the following product category: Pyridine. It has the systematic name of 3-iodo-4-methylpyridine. Besides this, it is also called 4-Methyl-3-iodopyridine. And the chemical formula of this chemical is C₆H₆IN.

Physical properties of Pyridine,3-iodo-4-methyl-: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 29.91; (6)ACD/BCF (pH 7.4): 30.61; (7)ACD/KOC (pH 5.5): 393.64; (8)ACD/KOC (pH 7.4): 402.86; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 42.07 cm³; (15)Molar Volume: 121 cm³; (16)Polarizability: 16.68×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.81 g/cm³; (19)Flash Point: 99.1 °C; (20)Enthalpy of Vaporization: 45.79 kJ/mol; (21)Boiling Point: 240.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0592 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccncc1I
(2)InChI: InChI=1/C6H6IN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
(3)InChIKey: SMXBHXFTAWZFAU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H6IN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
(5)Std. InChIKey: SMXBHXFTAWZFAU-UHFFFAOYSA-N

Product Name

Pyridine, 3-iodo-4-methyl- (9CI)

Pyridine,3-iodo-4-methyl- Specification

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