N-(2-(p-bromophenoxy)ethyl)pyrrolidine
Basic information
- CAS
1081-73-8- Standard SMILES
Brc1ccc(OCCN2CCCC2)cc1- InChIKey
YDWKSSWZGXRQET-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO
- Average molar mass
- 270.17 g/mol
- Monoisotopic mass
- 269.04152623
Overview
Pyrrolidine, 1-[2-(4-bromophenoxy)ethyl]- is an aromatic ether.
Names & identifiers
- Preferred name
- N-(2-(p-bromophenoxy)ethyl)pyrrolidine
- IUPAC
- 1-[2-(4-bromophenoxy)ethyl]pyrrolidine
- English name
- N-[2-(4-Bromophenoxy)ethyl]pyrrolidine
- Molecular formula
- C12H16BrNO
- Molecular weight
- 270.17
Names & synonyms
1081-73-81-(2-(4-bromophenoxy)ethyl)pyrrolidine1-[2-(4-Bromophenoxy)ethyl]pyrrolidineN-(2-(p-Bromophenoxy)ethyl)pyrrolidineEINECS 214-100-9YDWKSSWZGXRQET-UHFFFAOYSA-DTXSID70148408RefChem:824845DTXCID2070899214-100-9InChI=1/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2n-[2-(4-bromophenoxy)ethyl]pyrrolidine
Show more names
1-[2-(p-Bromophenoxy)ethyl]pyrrolidineLABOTEST-BB LT004527684-[2-Pyrrolidinoethoxy]phenyl
4-[2-Pyrrolidinoethoxy]phenyl bromideMFCD00003180Pyrrolidine, 1-[2-(4-bromophenoxy)ethyl]-1-[2-(4-bromophenoxy)ethyl]-pyrrolidine4-[2-N,N-Pyrrolidinoethoxy]phenyl bromide1-bromo-4-(2-pyrrolidinylethoxy)benzene1-(2-(4-bromophenoxyl)ethyl)pyrrolidine1-[2-(4-bromophenoxyl)ethyl]pyrrolidine
Database identifiers
- CAS
1081-73-8- PubChem CID
- 70657
- DTXSID
DTXSID70148408- ChEBI
CHEBI:151118- UNII
- 6S38XQ48CK
- EC Number
- 214-100-9
- Nikkaji
- J217.205D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 138 · 138-140 °C1.2 mm Hg(lit.)
- Density
- 1.304 g/mL · 1.304 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.557(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- pka
- 9.54 · 9.54±0.20(Predicted)
- Appearance
- Yellow to brown Liquid
- InChI
- 1S/C12H16BrNO/c13-11-3-5-12(6-4-11)15-10-9-14-7-1-2-8-14/h3-6H,1-2,7-10H2
- InChIKey
- YDWKSSWZGXRQET-UHFFFAOYSA-N
- SMILES
- Brc1ccc(OCCN2CCCC2)cc1
- CAS DataBase Reference
- 1081 · 1081-73-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 (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)
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 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- 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
Applications
Uses1-[2-(4-Bromophenoxy)ethyl]pyrrolidine was used in the synthesis of 4-OCH2CH2 -pyrrolidine.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Pyrrolidine, 1-[2-(4-bromophenoxy)ethyl]- is an aromatic ether.
Related reactions
59 records
Compound notes
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