CAS 1011-17-2 o-(1-Piperazinyl)phenol (HCID 70530)

Names & identifiers

Preferred name: o-(1-Piperazinyl)phenol
IUPAC: 2-piperazin-1-ylphenol
English name: 1-(2-Hydroxyphenyl)piperazine
Molecular formula: C10H14N2O
Molecular weight: 178.23

Names & synonyms

1011-17-22-(1-piperazinyl)phenolo-(1-Piperazinyl)phenolEINECS 213-782-5DTXSID90143733RefChem:855080DTXCID2066224213-782-52-(piperazin-1-yl)phenol1-(2-Hydroxyphenyl)piperazine2-(1-Piperazino)phenol2-piperazin-1-ylphenol

Show more names

2-(1-Piperazinyl) phenol2-PiperazinophenolRARECHEM AH CK 0117LABOTEST-BB LT015961242-(1-PIPERAZINO)PHENOL 98%

Phenol, 2-(1-piperazinyl)-MFCD001902461-(2-Hydroxyphenyl)-piperazine2-Piperazin-1-yl-phenoln-(2-hydroxyphenyl)piperazineCHEMBL2662502-piperazinylphenol2-(piperazine-1-yl)phenol

Database identifiers

CAS: 1011-17-2
PubChem CID: 70530
DTXSID: DTXSID90143733
ChEMBL: CHEMBL266250
UNII: M3A5WD54AW
EC Number: 213-782-5
Nikkaji: J217.129E

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 125 · 125-129 °C
Boiling point: 328.2 · 328.2±27.0 °C(Predicted)
Density: 1.141 · 1.141
pka: 11.25 · 11.25±0.35(Predicted)
form: powder
color: pale brown
BRN: 10646 · 10646
InChI: 1S/C10H14N2O/c13-10-4-2-1-3-9(10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
InChIKey: UORNTHBBLYBAJJ-UHFFFAOYSA-N
SMILES: Oc1ccccc1N2CCNCC2
CAS DataBase Reference: 1011 · 1011-17-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Warning
Hazard statements: 301 · H301-H314-H318
Precautionary statements: 260 h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,Xi
Risk Statements: 25 · 25-36/37/38
Safety Statements: 26 · 26-37/39-45
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 6.1 D · 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (88.6%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: WGK 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29339900
risk_code: 25-36/37/38
Signal word: Warning
Symbol(GHS): GHS05,GHS06
hazard_code: T,Xi
hazard_note: Irritant
safety_code: 26-37/39-45
hazard_class: 8
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
packing_group: III
Hazard statements: H301-H314-H318
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P260h-P301+P310a-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses2-(Piperazin-1-yl)phenol is used in preparation of substituted imidazoles and oxazoles in the treatment of cancers and other medical conditions.