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
Show more names
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
- Formal charge
- 0
- Complexity
- 124
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
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H311-H315-H319-H331-H335
- Precautionary statements
- 280 h-P305+P351+P338-P309-P310-P361 · P280h-P305+P351+P338-P309-P310-P361
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-36/37/38-20/21/22
- Safety Statements
- 26 · 26-28-36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 2640000 · TM2640000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29335990 · 29335990
- Toxicity
- 50 · rat,LD50,intraperitoneal,140mg/kg (140mg/kg),Compilation of LD50 Values of New Drugs.
Safety & regulation
GHS classification
GHS Classification
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
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
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301-H311-H315-H319-H331-H335
- Precautionary statements
- P280h-P305+P351+P338-P309-P310-P361
Chemistry & industry
Applications
UsesN-Phenylpiperazine Hydrochloride is used for acylation in preparation of non-peptide oxytocin antagonists.
Suppliers66 total
Related reactions
Compound notes
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