CAS No.1681-36-3,4-Chloro-3-methylpyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1681-36-3
Name:	4-Chloro-3-methylpyridine
Article Data:	17

Formula:	C₆H₆ClN
Molecular Weight:	127.573
Synonyms:	3-Picoline,4-chloro- (6CI,7CI,8CI);3-Methyl-4-chloropyridine;4-Chloro-3-picoline;
EINECS:	-0
Density:	1.15 g/cm³
Melting Point:	165-169 °C(lit.)
Boiling Point:	176.208 °C at 760 mmHg
Flash Point:	75.31 °C
Appearance:	Light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	1681-36-3
PSA:	12.89000
LogP:	2.04340

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Specification

The 4-Chloro-3-methylpyridine, with the CAS registry number 1681-36-3, is also known as 4-Chloro-3-picoline. It belongs to the product categories of Pyridine; Pyridines; Chiral Chemicals; Pyridine Series. This chemical's molecular formula is C₆H₆ClN and molecular weight is 127.57. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 4-Chloro-3-methylpyridine are: (1)ACD/LogP: 1.633; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.16; (6)ACD/BCF (pH 7.4): 10.25; (7)ACD/KOC (pH 5.5): 182.54; (8)ACD/KOC (pH 7.4): 184.10; (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: 1.527; (14)Molar Refractivity: 34.064 cm³; (15)Molar Volume: 110.883 cm³; (16)Polarizability: 13.504×10^-24cm³; (17)Surface Tension: 37.80 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 75.31 °C; (20)Enthalpy of Vaporization: 39.559 kJ/mol; (21)Boiling Point: 176.208 °C at 760 mmHg; (22)Vapour Pressure: 1.49 mmHg at 25 °C.

Preparation of 4-Chloro-3-methylpyridine: this chemical can be prepared by 3-methyl-4-nitro-pyridine 1-oxide. This reaction needs reagents HCl, PCl₃ and other condition of heating for 20 min. The yield is 97 %.

4-Chloro-3-methylpyridine can be prepared by 3-methyl-4-nitro-pyridine 1-oxide.

Uses of 4-Chloro-3-methylpyridine: it is used to produce other chemicals. For example, it can react with 1-formyl-piperazine to get 4-(3-methyl-pyridin-4-yl)-piperazine-1-carbaldehyde. The reaction occurs with various solvent at temperature of 90 °C. The reaction time is 16 hours. The yield is 46 %.

4-Chloro-3-methylpyridine can react with 1-formyl-piperazine to get 4-(3-methyl-pyridin-4-yl)-piperazine-1-carbaldehyde.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing and gloves. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccncc1C
(2) InChI: InChI=1S/C6H6ClN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3
(3) InChIKey: DZNXMHJMXLSNIR-UHFFFAOYSA-N