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| CAS No.: | 119532-26-2 |
|---|---|
| Name: | 1-(2,3-Dichlorophenyl)piperazine hydrochloride |
| Molecular Structure: | |
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| Formula: | C10H12Cl2N2.HCl |
| Molecular Weight: | 267.586 |
| Synonyms: | 1-(2,3-Dichlorophenyl)piperazine monohydrochloride;1-(2,3-Dichlorophenyl)-Piperazine Hydrochloride;1-(2,3-Dichlorophenyl)piperazine HCl; |
| EINECS: | -0 |
| Density: | 1.272g/cm3 |
| Melting Point: | 245-247 °C |
| Boiling Point: | 365.1 °C at 760 mmHg |
| Flash Point: | 174.6 °C |
| Solubility: | Soluble in water, DMSO and methanol. |
| Appearance: | Off-White Solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 15.27000 |
| LogP: | 3.59880 |
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Specification
The 1-(2,3-Dichlorophenyl)piperazine hydrochloride is an organic compound with the formula C10H12Cl2N2.HCl;C10H13Cl3N2. The IUPAC name of this chemical is 1-(2,3-dichlorophenyl)piperazine hydrochloride. With the CAS registry number 119532-26-2, it is also named as 4-(2,3-Dichlorophenyl)piperazin-1-ium chloride. The product's categories are Piperazines; Piperidines, Piperidones, Piperazines; Intermediatesofaripiprazole; Piperaizine; API Intermediates; Intermediates of Aripiprazole; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Piperazines Heterocyclic Building Blocks. Besides, it should be stored in a closed cool and dry place. It is used for synthesis of pharmaceutical raw materials such ac apailizuo.
Physical properties about 1-(2,3-Dichlorophenyl)piperazine hydrochloride are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 12.98; (6)ACD/KOC (pH 5.5): 2.51; (7)ACD/KOC (pH 7.4): 124.37; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 3.24 Å2; (12)Flash Point: 174.6 °C; (13)Enthalpy of Vaporization: 61.14 kJ/mol; (14)Boiling Point: 365.1 °C at 760 mmHg; (15)Vapour Pressure: 1.6E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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)SMILES: [Cl-].Clc1c(Cl)c(ccc1)N2CC[NH2+]CC2
(2)InChI: InChI=1/C10H12Cl2N2.ClH/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;/h1-3,13H,4-7H2;1H
(3)InChIKey: CYQFNNSFAGXCEC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H12Cl2N2.ClH/c11-8-2-1-3-9(10(8)12)14-6-4-13-5-7-14;/h1-3,13H,4-7H2;1H
(5)Std. InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N