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653675

Sigma-Aldrich

3,4-Dimethoxyphenethyl bromide

97%

Synonym(s):

2-Methoxy-4-(2-bromoethyl)anisole, 3,4-Dimethoxy-1-(2-bromoethyl)benzene

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About This Item

Linear Formula:
H3COC6H3(OCH3)CH2CH2Br
CAS Number:
40173-90-8
Molecular Weight:
245.11
MDL number:
MFCD07369769
UNSPSC Code:
12352100
PubChem Substance ID:
24883976
NACRES:
NA.22

Assay

97%

form

solid

bp

130-131 °C/3 mmHg (lit.)

mp

52-56 °C (lit.)

SMILES string

COc1ccc(CCBr)cc1OC

InChI

1S/C10H13BrO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6H2,1-2H3

InChI key

LTAGXVMHLFYRNK-UHFFFAOYSA-N

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Statements

H301,H319,H400

Hazard Classifications

Acute Tox. 3 Oral - Aquatic Acute 1 - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

>229.8 °F

Flash Point(C)

> 109.9 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000227748
0000184516
0000184515
BGBC2191V
MKBD5081

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Son T Nguyen et al.
Bioorganic & medicinal chemistry, 23(9), 2024-2034 (2015-03-31)
Recently we described a novel pyranopyridine inhibitor (MBX2319) of RND-type efflux pumps of the Enterobacteriaceae. MBX2319 (3,3-dimethyl-5-cyano-8-morpholino-6-(phenethylthio)-3,4-dihydro-1H-pyrano[3,4-c]pyridine) is structurally distinct from other known Gram-negative efflux pump inhibitors (EPIs), such as 1-(1-naphthylmethyl)-piperazine (NMP), phenylalanylarginine-β-naphthylamide (PAβN), D13-9001, and the pyridopyrimidine derivatives. Here

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