CAS 59817-32-2 1-(3-Hydroxyphenyl)piperazine (HCID 2736597)

Names & identifiers

Preferred name: 1-(3-Hydroxyphenyl)piperazine
IUPAC: 3-piperazin-1-ylphenol
English name: 1-(3-Hydroxyphenyl)piperazine
Molecular formula: C10H14N2O
Molecular weight: 178.23

Names & synonyms

59817-32-21-(3-Hydroxyphenyl)piperazineDTXSID00371469RefChem:224430DTXCID10322503626-688-83-(piperazin-1-yl)phenol3-piperazin-1-ylphenol1-(3-Hydroxyphenyl) piperazine3-(1-piperazinyl)phenoln-(3-hydroxyphenyl)piperazinePhenol, 3-(1-piperazinyl)-

Show more names

RARECHEM AH CK 0118Letomovir impurity 203-(Piperazin-1-yl)phenol 97%Phenol, 3-(1-piperazinyl)- (9CI)1-(3-Hydroxyphenyl)piperazine 97%

MFCD000528961-(3-HYDROXYPHENYL)-PIPERAZINE3-(1-Piperazino)phenol3-piperazinylphenol3-hydroxyphenylpiperazine3-piperazin-1-yl-phenol3-hydroxyphenyl piperazine3-piperazine-1-yl-phenol

Database identifiers

CAS: 59817-32-2
PubChem CID: 2736597
DTXSID: DTXSID00371469
UNII: E3L3E63W9X
EC Number: 626-688-8
Nikkaji: J2.085.760I

Properties

Computed structural properties

XLogP: 0.8
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: 217 · 217-221 °C (lit.)
Boiling point: 371.3 · 371.3±27.0 °C(Predicted)
Density: 1.141 · 1.141±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
pka: 10.33 · 10.33±0.10(Predicted)
form: solid
Appearance: White to off-white Solid
Sensitive: Air Sensitive
BRN: 4248583 · 4248583
InChI: InChI=1S/C10H14N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11,13H,4-7H2
InChIKey: AYGYICRITMSJOC-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC(N2CCNCC2)=C1
CAS DataBase Reference: 59817 · 59817-32-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H318-H335-H314
Precautionary statements: 260 h-P301+P310a-P303+P361+P353-P405-P501a-P261-P280-P301+P310-P305+P351+P338 · P260h-P301+P310a-P303+P361+P353-P405-P501a-P261-P280-P301+P310-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn,C
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-36/37/39
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2933599590 · 2933599590
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (86.7%): 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+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (86.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933599590
risk_code: 22-37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xn,C
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335-H314
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P260h-P301+P310a-P303+P361+P353-P405-P501a-P261-P280-P301+P310-P305+P351+P338