N-(2-(p-bromophenoxy)ethyl)pyrrolidine

HCID 70657CAS 1081-73-8
Substructure searchFind similar structures

Basic information

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

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications

Uses1-[2-(4-Bromophenoxy)ethyl]pyrrolidine was used in the synthesis of 4-OCH2CH2 -pyrrolidine.

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: Pyrrolidine, 1-[2-(4-bromophenoxy)ethyl]- is an aromatic ether.

Related reactions

59 records
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Linked notes

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