CAS 55827-50-4 1-(3,5-Dichlorophenyl)piperazine (HCID 2736067)

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Basic information

CAS: 55827-50-4
Standard SMILES: Clc1cc(Cl)cc(N2CCNCC2)c1
InChIKey: LISGMSBYRAXPJH-UHFFFAOYSA-N
Molecular formula: C10H12Cl2N2
Average molar mass: 231.12 g/mol
Monoisotopic mass: 230.03775374

Names & identifiers

Preferred name: 1-(3,5-Dichlorophenyl)piperazine
IUPAC: 1-(3,5-dichlorophenyl)piperazine
English name: 1-(3,5-Dichlorophenyl)piperazine
Molecular formula: C10H12Cl2N2
Molecular weight: 231.12

Names & synonyms

1-(3,5-Dichlorophenyl)piperazine55827-50-4K43YG8V8FVEINECS 259-841-9Piperazine, 1-(3,5-dichlorophenyl)-DTXSID10204416RefChem:74251DTXCID10126907259-841-91-(3,5-Dichlorophenyl)-piperazineMFCD00040763UNII-K43YG8V8FV

Show more names

TIMTEC-BB SBB003276RARECHEM AH CK 00841-(3,5-DICHLOROPHENY)PIPERAZINE1-(3,5-DICHLOR-PHENYL)PIPERAZINE1-(3,5-Dichlorophenyl)piperazine 97%1-(3,5-DICHLOROPHENYL)-PIPERAZINE >98%

1-(3,5-dichloro-phenyl)-piperazinePiperazine,1-(3,5-dichlorophenyl)-3,5-dichlorophenyl piperazineSCHEMBL254693(3,5-dichlorophenyl)piperazineSCHEMBL2835955CHEMBL23351581-(35-dichlorophenyl)piperazine

Database identifiers

CAS: 55827-50-4
PubChem CID: 2736067
DTXSID: DTXSID10204416
ChEMBL: CHEMBL2335158
UNII: K43YG8V8FV
EC Number: 259-841-9
Nikkaji: J296.511I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 173

Physicochemical properties

Melting point: 48 · 48-49°
Boiling point: 138 °C · 138 °C
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
pka: 8.74 · 8.74±0.10(Predicted)
form: solid
InChI: 1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2
InChIKey: LISGMSBYRAXPJH-UHFFFAOYSA-N
SMILES: Clc1cc(Cl)cc(c1)N2CCNCC2
CAS DataBase Reference: 55827 · 55827-50-4(CAS DataBase Reference)
FDA UNII: 43 YG8V8FV · K43YG8V8FV
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: WGK 3
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P