CAS No.626-58-4,4-Methylpiperidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	626-58-4
Name:	4-Methylpiperidine
Article Data:	34

Formula:	C₆H₁₃N
Molecular Weight:	99.1759
Synonyms:	4-Pipecoline(7CI,8CI);NSC 126910;NSC 66495;g-Pipecoline;Piperidine,4-methyl-;
EINECS:	210-954-1
Density:	0.81 g/cm³
Melting Point:	4-5 °C
Boiling Point:	129.6 °C at 760 mmHg
Flash Point:	7.2 °C
Solubility:	Miscible with water
Appearance:	clear slightly yellow liquid
Hazard Symbols:	F,Xi
Risk Codes:	11-36/37/38
Safety:	16-26-36
Transport Information:	UN 1993 3/PG 2
PSA:	12.03000
LogP:	1.33470

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Specification

4-Methylpiperidine is an organic compound with the formula C₆H₁₃N, and its systematic name is the same with the product name. With the CAS registry number 626-58-4, it is also named as Piperidine,4-methyl-. It belongs to the product category of Piperidine. Its EINECS number is 210-954-1. In addition, the molecular weight is 99.17. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. This chemical can be used in organic synthesis as an organic intermediate.

Physical properties of 4-Methylpiperidine are: (1)ACD/LogP: 1.148; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -1.74; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 31.115 cm³; (15)Molar Volume: 122.479 cm³; (16)Polarizability: 12.335×10^-24cm³; (17)Surface Tension: 24.45 dyne/cm; (18)Density: 0.81 g/cm³; (19)Flash Point: 7.222 °C; (20)Enthalpy of Vaporization: 36.724 kJ/mol; (21)Boiling Point: 129.562 °C at 760 mmHg; (22)Vapour Pressure: 10.11 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-pyridine at the ambient temperature. This reaction will need reagent SmI₂ and solvents tetrahydrofuran, H₂O with the reaction time of 14 min. The yield is about 92%.

4-Methylpiperidine can be prepared by 4-methyl-pyridine at the ambient temperature

Uses of 4-Methylpiperidine: it can be used to produce 2-(4-methyl-piperidin-1-yl)-5-nitro-benzoic acid by heating. It will need reagents K₂CO₃ and solvent ethanol with the reaction time of 60 hours. The yield is about 87%.

4-Methylpiperidine can be used to produce 2-(4-methyl-piperidin-1-yl)-5-nitro-benzoic acid by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. 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 protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: N1CCC(C)CC1
(2)Std. InChI: InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
(3)Std. InChIKey: UZOFELREXGAFOI-UHFFFAOYSA-N