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51639-49-7

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Basic Information
CAS No.: 51639-49-7
Name: 1-(3-Chlorophenyl)piperazine dihydrochloride
Article Data: 12
Molecular Structure:
Molecular Structure of 51639-49-7 (1-(3-Chlorophenyl)piperazine dihydrochloride)
Formula: C10H13ClN2 .2ClH
Molecular Weight: 269.601
Synonyms: Piperazine,1-(3-chlorophenyl)-, dihydrochloride (9CI);1-m-Chlorophenylpiperazine dihydrochloride;N-(3-Chlorophenyl)piperazine dihydrochloride;
EINECS: 257-333-1
Melting Point: 210 °C
Boiling Point: 336.4 °C at 760mmHg
Flash Point: 157.2 °C
Appearance: off-white to brown-greyish powder
Hazard Symbols: ToxicT
Risk Codes: 36/37/38-24-22
Safety: 26-36-45-36/37/39
PSA: 15.27000
LogP: 3.74740
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Specification

The 1-(3-Chlorophenyl)piperazine dihydrochloride with cas registry number of 51639-49-7 belongs to the categories of Piperazine Derivative; Pyrans, Piperidines & Piperazines; Piperaizine; Piperazines; Pyrans, Piperidines & Piperazines. Its EINECS registry number is 257-333-1. Both its IUPAC name and systematic name are the same which is called 1-(3-chlorophenyl)piperazine dihydrochloride. This chemical is off-white to brown-greyish powder.

Physical properties about this chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 6.48 Å2; (7)Flash Point: 157.2 °C; (8)Enthalpy of Vaporization: 57.95 kJ/mol; (9)Boiling Point: 336.4 °C at 760 mmHg; (10)Vapour Pressure: 0.000112 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed, toxic in contact with skin and 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. If you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Clc1cc(ccc1)N2CCNCC2;
(2)InChI: InChI=1/C10H13ClN2.2ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;;/h1-3,8,12H,4-7H2;2*1H; (3)InChIKey:OSZCTRWSGNWWBL-UHFFFAOYAP