Basic information
- Standard SMILES
Oc1ccc(N2CCNCC2)cc1- InChIKey
GPEOAEVZTOQXLG-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- p-(1-Piperazinyl)phenol
- IUPAC
- 4-piperazin-1-ylphenol
- English name
- 1-(4-Hydroxyphenyl)piperazine
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
1-(4-Hydroxyphenyl)piperazine56621-48-8p-(1-Piperazinyl)phenolEINECS 260-289-6DTXSID80205197RefChem:857911DTXCID80127688260-289-64-(piperazin-1-yl)phenol4-(1-Piperazinyl)phenol4-piperazin-1-ylphenolN-(4-hydroxyphenyl)piperazine
Show more names
RARECHEM AH CK 0119SALOR-INT L497754-1EALABOTEST-BB LT002331984-PIPERAZIN-1-YL-PHENOLKetoconazole Impurity 324-(1-Piperazino)phenol,98%
4-PiperazinophenolMFCD00066156Phenol, 4-(1-piperazinyl)-1-(4-Hydroxyphenyl)-piperazine4-piperazinylphenolEN300-172304-(1-piperazino)phenol4-Piperazinyl phenol
Database identifiers
- CAS
56621-48-8- PubChem CID
- 92467
- DTXSID
DTXSID80205197- UNII
- A2SA24RA7S
- EC Number
- 260-289-6
- Nikkaji
- J267.059C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 220 °C · 220 °C
- Boiling point
- 371.3 · 371.3±27.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Powder
- pka
- 12.18 · 12.18±0.30(Predicted)
- color
- Brownish
- BRN
- 150964 · 150964
- InChI
- InChI=1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
- InChIKey
- GPEOAEVZTOQXLG-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(N2CCNCC2)C=C1
- LogP
- 0.374 · 0.374
- CAS DataBase Reference
- 56621 · 56621-48-8(CAS DataBase Reference)
- FDA UNII
- 2 SA24RA7S · A2SA24RA7S
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS06
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H301-H314-H318
- Precautionary statements
- 261 · P261-P305+P351+P338-P260h-P301+P310a-P303+P361+P353-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3263 · UN3263
- WGK Germany
- 3 · 3
- F
- 10 · 10-34
- Hazard Note
- Irritant
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29335990 · 29335990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.
Danger
H314 (10.4%): 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 15-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21519
Hazard Classes and CategoriesSkin Corr. 1B (10.4%)
Safety data
- F
- 10-34
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN3263
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS05,GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H315-H319-H335-H301-H314-H318
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P261-P305+P351+P338-P260h-P301+P310a-P303+P361+P353-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
Metabolism/Metabolites1-(4-hydroxyphenyl)piperazine is a known human metabolite of 1-(4-methoxyphenyl)piperazine.
Applications
Uses1-(4-Hydroxyphenyl)piperazine can be used as an intermediate for ketoconazole.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
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