1-Phenylpiperazinium chloride

HCID 75164

Basic information

CAS
2210-93-7
Standard SMILES
Cl.c1ccc(N2CCNCC2)cc1
InChIKey
NQNZNONJZASOKL-UHFFFAOYSA-N
Molecular formula
C10H15ClN2
Average molar mass
198.69 g/mol
Monoisotopic mass
198.0923762

Names & identifiers

Preferred name
1-Phenylpiperazinium chloride
IUPAC
1-phenylpiperazine;hydrochloride
English name
1-Phenylpiperazine hydrochloride
Molecular formula
C10H15ClN2
Molecular weight
198.69

Names & synonyms

1-Phenylpiperazinium chlorideRefChem:4357341-Phenylpiperazine hydrochloride2210-93-71-phenylpiperazine;hydrochloridePiperazine, 1-phenyl-, monohydrochlorideMFCD00012758N-PHENYLPIPERAZINE HYDROCHLORIDEPiperazine, 1-phenyl-, hydrochlorideJ8L23UX32D4-Phenylpiperazine hydrochlorideNSC-38914
Show more names
1-PHENYLPIPERAZINE HCLTIMTEC-BB SBB003556PHENYL PIPERAZINE HCL1-phenylpiperazine DIHCL1-phenyl-piperazinhydrochloride1-PHENYLPIPERAZINE MONOHYDROCHLORIDE1-Phenylpiperazine hydrochloride,97%
phenylpiperazine, chlorideNSC-150847phenylpiperazine hydrochloride1-phenylpiperazine,hydrochloride1-phenyl piperazine hydrochlorideEINECS 218-646-9NSC 38914UNII-J8L23UX32D

Database identifiers

CAS
2210-93-7、4004-95-9
PubChem CID
75164
DTXSID
DTXSID40176612
UNII
J8L23UX32D
EC Number
218-646-9

Properties

Computed structural properties

Topological polar surface area
15.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
247 · 247-250 °C(lit.)
Density
0.985 · 0.985(20.0000℃)
storage temp.
Store at room temperature, keep dry and cool
Appearance
White to off-white Solid
CAS DataBase Reference
2210 · 2210-93-7(CAS DataBase Reference)
FDA UNII
8 L23UX32D · J8L23UX32D

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (97.7%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (88.6%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, 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.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%);Acute Tox. 3 (97.7%);Skin Irrit. 2 (97.7%);Eye Irrit. 2 (97.7%);Acute Tox. 3 (88.6%);STOT SE 3 (97.7%)

Safety data

wgk
3
rtecs
TM2640000
ridadr
UN 2811 6.1/PG 3
hs_code
29335990
Toxicity
rat,LD50,intraperitoneal,140mg/kg (140mg/kg),Compilation of LD50 Values of New Drugs.
risk_code
23/24/25-36/37/38-20/21/22

Chemistry & industry

Applications

UsesN-Phenylpiperazine Hydrochloride is used for acylation in preparation of non-peptide oxytocin antagonists.

Suppliers66 total

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

14 records

Compound notes

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