CAS No.776-75-0,1-Benzoylpiperidine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	776-75-0
Name:	1-Benzoylpiperidine
Article Data:	394

Formula:	C₁₂H₁₅NO
Molecular Weight:	189.257
Synonyms:	Piperidine,1-benzoyl- (6CI,7CI,8CI,9CI);1-Benzoylpiperidine;Benzoic acid N-piperidide;Benzoic acid, piperidide;Benzoylpiperidine;N-Benzoylpiperidine;NSC 1992;NSC26344;P 162;Phenyl(piperidin-1-yl)methanone;Protectine I;R 162;a-Repellin;
EINECS:	212-280-3
Density:	1.084 g/cm³
Melting Point:	48-50 °C
Boiling Point:	320.5 °C at 760 mmHg
Flash Point:	145 °C
Safety:	22-24/25
PSA:	20.31000
LogP:	2.25060

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Specification

The CAS register number of 1-Benzoylpiperidine is 776-75-0. It also can be called as Piperidine, 1-benzoyl- and the IUPAC name about this chemical is phenyl(piperidin-1-yl)methanone. The molecular formula about this chemical is C₁₂H₁₅NO and the molecular weight is 189.25. It belongs to the Heterocyclic Compounds. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about 1-Benzoylpiperidine are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 7.3; (5)ACD/BCF (pH 7.4): 7.3; (6)ACD/KOC (pH 5.5): 144.38; (7)ACD/KOC (pH 7.4): 144.38; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31Å²; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 56.27 cm³; (13)Molar Volume: 174.5 cm³; (14)Polarizability: 22.3x10^-24cm³; (15)Surface Tension: 42.6 dyne/cm; (16)Enthalpy of Vaporization: 56.22 kJ/mol; (17)Boiling Point: 320.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000316 mmHg at 25°C.

Preparation: this chemical can be prepared by piperidine and piperidine. This reaction will need solvent acetonitrile. The reaction time is 3 day(s) with reaction temperature of 35 ℃. The reaction pressure is 8000.004. The yield is about 81%.

Uses of 1-Benzoylpiperidine: it can be used to produce 1-thiobenzoyl-piperidine. This reaction will need reagent tetraphosphorus decasulfide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)N2CCCCC2
(2)InChI: InChI=1/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
(3)InChIKey: YXTROGRGRSPWKL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2
(5)Std. InChIKey: YXTROGRGRSPWKL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LDLo	subcutaneous	570mg/kg (570mg/kg)		Berichte der Deutschen Chemischen Gesellschaft. Vol. 34, Pg. 2408, 1901.