1-(2-Fluorophenyl)piperazine
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Basic information
- CAS
1011-15-0- Standard SMILES
Fc1ccccc1N1CCNCC1- InChIKey
IVTZRJKKXSKXKO-UHFFFAOYSA-N- Molecular formula
- C10H13FN2
- Average molar mass
- 180.22 g/mol
- Monoisotopic mass
- 180.10627664
Names & identifiers
- Preferred name
- 1-(2-Fluorophenyl)piperazine
- IUPAC
- 1-(2-fluorophenyl)piperazine
- English name
- 1-(2-Fluorophenyl)piperazine
- Molecular formula
- C10H13FN2
- Molecular weight
- 180.22
Names & synonyms
1-(2-Fluorophenyl)piperazine1011-15-0EINECS 213-780-4DTXSID30143732RefChem:422125DTXCID7066223213-780-4Piperazine, 1-(2-fluorophenyl)-1-(2-Fluorophenyl)-piperazineMFCD000407261-(2-Fluoro-phenyl)-piperazineCHEMBL9429
Show more names
1-(o-Fluorophenyl)piperazineAKOS BBS-000036154-(95-Butyl)phenolRARECHEM AH CK 0103LABOTEST-BB LT001593661-(2-Fluorphenyl)-piperazineN-(2-Fluorophenyl)piperazine2-(1-Piperazino)fluorobenzene
(2-fluorophenyl)piperazine4-(2-Fluorophenyl)piperazineoFPP2-fluorophenylpiperazine2-Fluorophenyl piperazine4-(fluorophenyl)piperazineortho-fluorophenylpiperazine1-(2-flurophenyl)piperazine
Database identifiers
- CAS
1011-15-0- PubChem CID
- 70529
- DTXSID
DTXSID30143732- ChEMBL
CHEMBL9429- EC Number
- 213-780-4
- Nikkaji
- J217.128G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Piperazines (Hallucinogen)
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Physicochemical properties
- Melting point
- 49 °C · 49 °C
- Boiling point
- 93 °C/0.5 · 93 °C/0.5 mmHg
- Density
- 1.141 g/mL · 1.141 g/mL at 25 °C (lit.)
- refractive index
- 1.56 · 1.56
- Flash point
- 113 °C · 113 °C - closed cup
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- pka
- 8.78 · 8.78±0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- Sensitive
- Air Sensitive
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
Danger
H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (10.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2923
- hs_code
- 2933599090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 26-36-24/25
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- target organs
- Respiratory system
Chemistry & industry
Applications
Uses1-(2-Fluorophenyl)piperazine (cas# 1011-15-0) is a compound useful in organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
270 records
Compound notes
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