CAS No.159275-17-9,BENZYL 4-(BROMOMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	159275-17-9
Name:	BENZYL 4-(BROMOMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
Article Data:	5

Formula:	C₁₄H₁₈BrNO₂
Molecular Weight:	312.206
Synonyms:	1-Benzyloxycarbonyl-4-bromomethylpiperidine;4-Bromomethylpiperidine-1-carboxylic acid benzyl ester;Benzyl4-(bromomethyl)piperidine-1-carboxylate;N-Benzyloxycarbonyl-4-bromomethylpiperidine;
Density:	1.357 g/cm³
Melting Point:	68 °C
Boiling Point:	403.369 °C at 760 mmHg
Flash Point:	197.751 °C
Hazard Symbols:	Xi, C
Risk Codes:	36/37/38-34
Safety:	26-36/37/39
PSA:	29.54000
LogP:	3.36800

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Specification

The 1-Piperidinecarboxylicacid, 4-(bromomethyl)-, phenylmethyl ester is an organic compound with the formula C₁₄H₁₈BrNO₂. The IUPAC name of this chemical is Benzyl 4-(bromomethyl)piperidine-1-carboxylate. With the CAS registry number 159275-17-9, it is also named as 4-(Bromomethyl)piperidine, N-CBZ protected. The product's categories are Halides; Heterocycles; Methyl Halides; Pyrans, Piperidines and Piperazines; Piperidine; API Intermediates; Methyl Halides; Pyrans, Piperidines and Piperazines. Besides, its molecular weight is 312.2.

Physical properties about 1-Piperidinecarboxylicacid, 4-(bromomethyl)-, phenylmethyl ester are: (1)ACD/LogP: 3.26; (2)ACD/LogD (pH 5.5): 3.26; (3)ACD/LogD (pH 7.4): 3.26; (4)ACD/BCF (pH 5.5): 176.71; (5)ACD/BCF (pH 7.4): 176.71; (6)ACD/KOC (pH 5.5): 1413.2; (7)ACD/KOC (pH 7.4): 1413.2; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 74.48 cm³; (13)Molar Volume: 230 cm³; (14)Polarizability: 29.52×10^-24 cm³; (15)Surface Tension: 45.4 dyne/cm; (16)Density: 1.356 g/cm³; (17)Flash Point: 197.8 °C; (18)Enthalpy of Vaporization: 65.47 kJ/mol; (19)Boiling Point: 403.4 °C at 760 mmHg; (20)Vapour Pressure: 1.02E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It causes burns. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H18BrNO2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
(2)InChIKey: XJHKDSZGAWXUTB-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C14H18BrNO2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11H2
(4)Std. InChIKey: XJHKDSZGAWXUTB-UHFFFAOYSA-N