HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3,4-Dichlorophenyl)piperazine
TIMTEC-BB SBB003275 · RARECHEM AH CK 0083 · Trazodone impurity QZT-IM-3-Z5 · N-(3,4-DICHLOROPHENYL)PIPERAZINE · 4-(3,4-Dichlorophenyl)piperazine · 1-(3,4-DICHLOROPHENYL)PIPERAZINE · Piperazine, 1-(3,4-dichlorophenyl)- · 1-(3,4-Dichlorophenyl)piperazine>1,2-Dichloro-4-(1-piperazino)benzene
Identifiers & Physical Properties
| CAS No. | 57260-67-0 |
|---|---|
| Molecular formula | C10H12Cl2N2 |
| Average molar mass | 231.12 g/mol |
| Monoisotopic mass | 230.03775374 g/mol |
| SMILES | Clc1ccc(N2CCNCC2)cc1Cl |
| InChIKey | PXFJLKKZSWWVRX-UHFFFAOYSA-N |
| PubChem CID | 93601 |
| ChEMBL | CHEMBL2335159 |
| EC No. | 260-652-9 |
| DTXSID | DTXSID70205883 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 15.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 183 |
| Melting point | 62-66 °C |
| Boiling point | 179 °C (15 mmHg) |
| Density | 1.2949 (rough estimate) |
| Refractive index | 1.6400 (estimate) |
| Flash point | 202°C/15mm |
| Storage conditions | Store below +30°C. |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 8.71±0.10(Predicted) |
| Color | Pale Beige to Pale Orange |
| BRN | 520169 |
| InChI | 1S/C10H12Cl2N2/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2 |
| InChIKey | PXFJLKKZSWWVRX-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1Cl)N2CCNCC2 |
| CAS DataBase Reference | 57260-67-0(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-(3,4-Dichlorophenyl)-piperazine(57260-67-0) |
| UNSPSC Code | 12352100 |
| GHS pictogram | GHS07,GHS05 |
| Signal word | Warning |
| GHS hazard statements | H318-H302+H312-H314-H315-H319-H335 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P501a-P261-P305+P351+P338-P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-24/25-36 |
| UN transport number | 3259 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Packing group | II |
| Customs code | 29335995 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | DangerH314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1C (16.7%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| UN transport number | 3259 |
| Customs code | 29335995 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS05 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-24/25-36 |
| Hazard class | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Packing group | II |
| Target organs | Respiratory system |
| GHS hazard statements | H318-H302+H312-H314-H315-H319-H335 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P501a-P261-P305+P351+P338-P260-P264-P270-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501 |
Applications & Uses
Uses
1-(3,4-Dichlorophenyl)piperazine is an N-substituted piperazine. Its freezing point and boiling point are 335.65K and 643.73K. Its density and refractive index at 25°C are 1.2949g/cm3 and 1.6400.
General Description
1-(3,4-Dichlorophenyl)piperazine is an N-substituted piperazine. Its freezing point and boiling point are 335.65K and 643.73K. Its density and refractive index at 25°C are 1.2949g/cm3 and 1.6400.