Basic information
- CAS
102292-50-2- Standard SMILES
Clc1cccc(Cl)c1CN1CCNCC1- InChIKey
WQTPGHSKQDVCQQ-UHFFFAOYSA-N- Molecular formula
- C11H14Cl2N2
- Average molar mass
- 245.14 g/mol
- Monoisotopic mass
- 244.05340381
Names & identifiers
- Preferred name
- 1-(2,6-Dichlorobenzyl)piperazine
- IUPAC
- 1-[(2,6-dichlorophenyl)methyl]piperazine
- English name
- 1-(2,6-DICHLOROBENZYL)PIPERAZINE
- Molecular formula
- C11H14Cl2N2
- Molecular weight
- 245.15
Names & synonyms
1-(2,6-Dichlorobenzyl)piperazine102292-50-2DTXSID80354376RefChem:222964DTXCID50305436624-497-41-[(2,6-dichlorophenyl)methyl]piperazinePiperazine, 1-[(2,6-dichlorophenyl)methyl]-MFCD027362811-(2,6-Dichlorobenzyl)-piperazine1-(2,6-Dichloro-benzyl)-piperazine2,6-dichlorobenzylpiperazine
Show more names
SBB009351AKOS B014424BAS 03082541657832_ALDRICHAG-670/40681823BUTTPARK 36\08-57ART-CHEM-BB B014424TIMTEC-BB SBB009351
Oprea1_042275Oprea1_177202SCHEMBL2306473SCHEMBL3966949WQTPGHSKQDVCQQ-UHFFFAOYSA-NBBL037000STK148781AKOS000305133
Database identifiers
- CAS
102292-50-2- PubChem CID
- 770796
- DTXSID
DTXSID80354376- EC Number
- 624-497-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 54 · 54-62 °C
- Boiling point
- 332.4 · 332.4±37.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 9.02 · 9.02±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C11H14Cl2N2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2
- InChIKey
- WQTPGHSKQDVCQQ-UHFFFAOYSA-N
- SMILES
- N1(CC2=C(Cl)C=CC=C2Cl)CCNCC1
- CAS DataBase Reference
- 102292 · 102292-50-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
H315 (97.5%): 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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers47 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司
Related reactions
4 records
Compound notes
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