CAS No.55304-73-9,2 6-DICHLOROPYRIDINE-3-CARBOXALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55304-73-9
Name:	2 6-DICHLOROPYRIDINE-3-CARBOXALDEHYDE
Article Data:	15

Formula:	C₆H₃Cl₂NO
Molecular Weight:	176.002
Synonyms:	2,6-Dichloro-3-formylpyridine;2,6-Dichloro-3-pyridinecarboxaldehyde;2,6-Dichloropyridyl-3-carboxaldehyde;
Density:	1.489 g/cm³
Melting Point:	74-75 °C
Boiling Point:	281.138 °C at 760 mmHg
Flash Point:	123.828 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38-43
Safety:	26-36/37
PSA:	29.96000
LogP:	2.20090

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Specification

The IUPAC name of this chemical is 2,6-dichloropyridine-3-carbaldehyde. With the CAS registry number 55304-73-9, it is also named as 3-Pyridinecarboxaldehyde, 2,6-dichloro-. The product's categories are Alcohols and Derivatives; Heterocycles; Pharmacetical; Pyridine; Aldehyde; Building Blocks.

The other characteristics of 2,6-Dichloropyridine-3-carbaldehyde can be summarized as: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 171; (8)ACD/KOC (pH 7.4): 171; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 40.887 cm³; (14)Molar Volume: 118.225 cm³; (15)Polarizability: 16.209×10^-24 cm³; (16)Surface Tension: 52.489 dyne/cm; (17)Enthalpy of Vaporization: 51.992 kJ/mol; (18)Vapour Pressure: 0.004 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 174.959169; (21)MonoIsotopic Mass: 174.959169; (22)Topological Polar Surface Area: 30; (23)Heavy Atom Count: 10; (24)Complexity: 131.

Preparation of 2,6-Dichloropyridine-3-carbaldehyde: It can be obtained by (2,6-dichloro-pyridin-3-yl)-methanol. This reaction needs reagent acetic anhydride and solvent acetic acid, dimethylsulfoξde at temperature of 25 °C. The reaction time is 2 days. The yield is 66%.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
1. SMILES:O=Cc1ccc(Cl)nc1Cl
2. InChI:InChI=1/C6H3Cl2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H
3. InChIKey:HWTMRGXKSANEDO-UHFFFAOYAT