CAS No.100939-90-0,(3-CHLORO-PHENYL)-PIPERAZIN-1-YL-METHANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	100939-90-0
Name:	(3-CHLORO-PHENYL)-PIPERAZIN-1-YL-METHANONE
Article Data:	7

Formula:	C₁₁H₁₃ClN₂O
Molecular Weight:	224.69
Synonyms:	Piperazine,1-(3-chlorobenzoyl)- (9CI);1-(3-Chlorobenzoyl)piperazine;(3-Chlorophenyl)-piperazin-1-ylmethanone;(3-Chlorophenyl)(piperazin-1-yl)methanone dihydrochloride;
Density:	1.231 g/cm³
Melting Point:	103-104°C
Boiling Point:	385.6 °C at 760 mmHg
Flash Point:	187 °C
PSA:	32.34000
LogP:	1.65210

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Specification

The CAS registry number of Methanone,(3-chlorophenyl)-1-piperazinyl- is 100939-90-0. The IUPAC name is (3-chlorophenyl)-piperazin-1-ylmethanone. In addition, the molecular formula is C₁₁H₁₃ClN₂O and the molecular weight is 224.69. It is a kind of irritating chemical and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): -1.37; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 22.02; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55 Å²; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 59.9 cm³; (14)Molar Volume: 182.5 cm³; (15)Polarizability: 23.74 ×10^-24cm³; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.231 g/cm³; (18)Flash Point: 187 °C; (19)Enthalpy of Vaporization: 63.44 kJ/mol; (20)Boiling Point: 385.6 °C at 760 mmHg; (21)Vapour Pressure: 3.77E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccc(Cl)c1)N2CCNCC2
(2)InChI: InChI=1/C11H13ClN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
(3)InChIKey: FBTDRVSCKFZIQH-UHFFFAOYAK