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560421

Sigma-Aldrich

3,4-Dichlorophenethylamine

97%

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About This Item

Linear Formula:
Cl2C6H3CH2CH2NH2
CAS Number:
21581-45-3
Molecular Weight:
190.07
MDL number:
MFCD00060617
UNSPSC Code:
12352100
PubChem Substance ID:
24879864
NACRES:
NA.22

assay

97%

refractive index

n20/D 1.567 (lit.)

bp

280 °C (lit.)

density

1.268 g/mL at 25 °C (lit.)

SMILES string

NCCc1ccc(Cl)c(Cl)c1

InChI

1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2

InChI key

MQPUAVYKVIHUJP-UHFFFAOYSA-N

Related Categories

General description

3,4-Dichlorophenethylamine can be obtained by reacting 3,4-dichlorophenylacetonitrile with suspension of lithium aluminum hydride (LiAlH4) in dry diethyl ether in the presence of N2.

Application

3,4-Dichlorophenethylamine may be used to synthesize N-(3′,4′-dichlorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol and 2-[2-(3,4-dichlorophenyl)ethylamino]-1-pyridin-3-ylethanol.

Caution

Absorbs CO2 from Air

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Synthesis, Conformation, and Stereodynamics of a Salt of 2-{[2-(3, 4-Dichlorophenyl)-ethyl] propylamino}-1-pyridin-3-ylethanol.
Korosec T, et al.
The Journal of Organic Chemistry, 71(2), 792-795 (2006)
Xiang Liu et al.
Medicinal chemistry (Shariqah (United Arab Emirates)), 1(1), 31-38 (2006-06-23)
Three new trishomocubane analogues based on the 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)] dodecane-3-ol skeleton have been synthesised and assessed for their affinities at both sigma-1 and sigma-2 receptors. The effect of various N-substitution on the polycyclic moiety was examined. All synthesised compounds displayed high

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