Basic information
- CAS
300543-56-0- Standard SMILES
Clc1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1- InChIKey
UZKBSZSTDQSMDR-QGZVFWFLSA-N- Molecular formula
- C17H19ClN2
- Average molar mass
- 286.8 g/mol
- Monoisotopic mass
- 286.1236763
Names & identifiers
- Preferred name
- Norchlorcyclizine, (-)-
- IUPAC
- 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine
- English name
- (R)-1-[(4-Chlorophenyl)phenylmethyl]piperazine
- Molecular formula
- C17H19ClN2
- Molecular weight
- 286.8
Names & synonyms
300543-56-0Piperazine, 1-[(R)-(4-chlorophenyl)phenylmethyl]-chlorobenzhydryl piperazineNorchlorcyclizine, (-)-(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine(R)-1-(p-Chlorobenzhydryl)piperazine(R)-1-[(4-Chlorophenyl)phenylmethyl]piperazine890A9G29PG(-)-1-((4-Chlorophenyl)phenylmethyl)piperazinePiperazine, 1-((R)-(4-chlorophenyl)phenylmethyl)-CHLOROBENZHYDRYL PIPERAZINE [USP-RS](R)-1-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZINE
Show more names
HCV-IN-47Levocetirizine Impurity ALevocetirizine Impurity 2(R)-Cetirizine EP Impurity A(R)-1-[(4-Chlorophenyl)phenylmethylChlorobenzhydryl Piperazine (F02160)Cetirizine Hydrochloride Impurity 46(R)-N-(4-Chlorobenzyl hydryl) piperazineR(-)-1-[(4-Chlorophenyl)benzyl]piperazine
CHLOROBENZHYDRYL PIPERAZINE (USP-RS)RefChem:854708(R)-1-((4-chlorophenyl)(phenyl)methyl)piperazine1-[(r)-(4-chlorophenyl)(phenyl)methyl]piperazineMFCD11519277(R)-(-)-1-[(4-Chlorophenyl)phenylmethyl]piperazine1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine(-)-norchlorcyclizine
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 91 · 91-93oC
- Boiling point
- 409.1 · 409.1±0.0 °C(Predicted)
- Density
- 1.158 · 1.158
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
- pka
- 8.99 · 8.99±0.10(Predicted)
- form
- Solid
- color
- White
- PH
- 9.38 at · 9.38 at 25℃ and 10.07g/L
- Water Solubility
- Soluble in chloroform, methanol, and dichloromethane. Slightly soluble in water.
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1/C17H19ClN2/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20/h1-9,17,19H,10-13H2/t17-/s3
- InChIKey
- UZKBSZSTDQSMDR-SCBJWRGWNA-N
- SMILES
- [C@@H](N1CCNCC1)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1 |&1:0,r|
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: (-)-(R)-1-((4-Chlorophenyl)(phenyl)methyl)piperazine (EC: 608-439-5)
Hazard Classes and CategoriesAcute Tox. 4 (60%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933599550
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIntermediate in the production of (R)-Cetirizine (C281106).
Uses(R)-1-[alpha-(4-Chlorophenyl)benzyl]piperazine intermediate in the production of (R)-Cetirizine.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州纳什医药科技有限公司13482028355 · [email protected]
Related reactions
4 records
Compound notes
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