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Piperazine,1-(3,5-dichloro-4-pyridinyl)-

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Name

Piperazine,1-(3,5-dichloro-4-pyridinyl)-

EINECS N/A
CAS No. 175277-80-2 Density 1.327 g/cm3
PSA 28.16000 LogP 2.19180
Solubility N/A Melting Point 77 °C
Formula C9H11Cl2N3 Boiling Point 347.1 °C at 760 mmHg
Molecular Weight 232.112 Flash Point 163.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175277-80-2 (1-(3,5-DICHLORO-4-PYRIDYL)PIPERAZINE) Hazard Symbols IrritantXi
Synonyms

1-(3,5-Dichloropyridin-4-yl)piperazine;4-(3,5-Dichloropyridin-4-yl)piperazine;Piperazine, 1-(3,5-dichloro-4-pyridinyl)-;

 

Piperazine,1-(3,5-dichloro-4-pyridinyl)- Specification

The Piperazine,1-(3,5-dichloro-4-pyridinyl)-, with the CAS registry number 175277-80-2, has the systematic name of 1-(3,5-dichloropyridin-4-yl)piperazine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H11Cl2N3.

The characteristics of Piperazine,1-(3,5-dichloro-4-pyridinyl)- are as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.48; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 31.07; (7)ACD/KOC (pH 5.5): 4.99; (8)ACD/KOC (pH 7.4): 355.03; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 19.37 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 57.68 cm3; (15)Molar Volume: 174.8 cm3; (16)Polarizability: 22.86×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Density: 1.327 g/cm3; (19)Flash Point: 163.7 °C; (20)Enthalpy of Vaporization: 59.13 kJ/mol; (21)Boiling Point: 347.1 °C at 760 mmHg; (22)Vapour Pressure: 5.51E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1c(c(Cl)cnc1)N2CCNCC2
(2)InChI: InChI=1/C9H11Cl2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
(3)InChIKey: GPCFTLKHUONISF-UHFFFAOYAG

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