1-(4-Chlorophenyl)piperazine
Basic information
- CAS
38212-33-8- Standard SMILES
Clc1ccc(N2CCNCC2)cc1- InChIKey
UNEIHNMKASENIG-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.0767261
Overview
increases serotonin & decreases 5-hydroxyindoleacetic acid concentration in rat brain 6 hours after administration; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)piperazine
- IUPAC
- 1-(4-chlorophenyl)piperazine
- English name
- 1-(4-Chlorophenyl)piperazine
- Molecular formula
- C10H13ClN2
- Molecular weight
- 196.68
Names & synonyms
1-(4-Chlorophenyl)piperazine38212-33-8Piperazine, 1-(4-chlorophenyl)-FMD47JE5C3NSC-1267081-(para-Chlorophenyl)piperazineDTXSID90191592RefChem:74469DTXCID30114083627-233-6para-chlorophenylpiperazine1-(4-chlorophenyl)-piperazine
Show more names
AKOS BBS-00003582TIMTEC-BB SBB003580RARECHEM AH CK 00721-(4-CHLORPHENYL)PIPERAZINE1-(4-Chlorophenyl)Piperazone4-(Piperazin-1-yl)chlorobenzene
MFCD000448231-(4-Chloro-phenyl)-piperazineCHEMBL114478(4-chlorophenyl)piperazine4-(4-chlorophenyl)piperazineNSC126708NSC 126708p-chlorophenylpiperazine
Database identifiers
- CAS
38212-33-8- PubChem CID
- 97478
- DTXSID
DTXSID90191592- ChEMBL
CHEMBL114478- UNII
- FMD47JE5C3
- EC Number
- 627-233-6
- Nikkaji
- J253.123B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP2.01
Physicochemical properties
- Melting point
- 76 · 76-79 °C
- Boiling point
- 113 °C/0.27mm · 113°C/0.27mm
- Density
- 1.1428 · 1.1428 (rough estimate)
- refractive index
- 1.5749 · 1.5749 (estimate)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMF:PBS(pH7.2) (1:2): 0.33 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Methanol: 1 mg/ml
- pka
- 8.88 · 8.88±0.10(Predicted)
- form
- Solid
- Appearance
- White to light yellow Solid
- Water Solubility
- It is soluble in water.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-34
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1-(4-Chlorophenyl)piperazine is used as a 5-HT-1 serotonin receptor agonist. It is also used as a pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
229 records
Compound notes
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