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16995

(S)-(−)-(2-Bromoethyl)oxirane

Name: (<I>S</I>)-(−)-(2-Bromoethyl)oxirane
Brand: SIAL

technical, ≥90% (sum of enantiomers, GC)

Synonym(s):

(S)-(−)-4-Bromo-1,2-epoxybutane

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About This Item

Empirical Formula (Hill Notation):

C₄H₇BrO

CAS Number:

61847-07-2

Molecular Weight:

151.00

UNSPSC Code:

12352005

NACRES:

NA.22

PubChem Substance ID:

329751434

MDL number:

MFCD00042984

Beilstein/REAXYS Number:

1560144

Assay:

≥90% (sum of enantiomers, GC)

Form:

liquid

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Properties

grade

technical

Quality Level

100

assay

≥90% (sum of enantiomers, GC)

form

liquid

optical activity

[α]20/D −26±1°, c = 0.3% in chloroform

refractive index

n20/D 1.476

bp

80 °C/50 mmHg (lit.)

density

1.521 g/mL at 20 °C (lit.)

SMILES string

BrCC[C@H]1CO1

InChI

1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2/t4-/m0/s1

InChI key

ZKODPGZNBMIZFX-BYPYZUCNSA-N

Description

Other Notes

Versatile bifunctional chiral building block with two different electrophilic centers

pictograms

GHS02,GHS07

signalword

Warning

hcodes

H226,H315,H319,H335

pcodes

P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number

BCBR8938V

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Y. Yuasa et al.

Synthetic Communications, 27, 573-573 (1997)

N-(4-(4-(2,3-dichloro- or 2-methoxyphenyl)piperazin-1-yl)butyl)heterobiarylcarboxamides with functionalized linking chains as high affinity and enantioselective D3 receptor antagonists.

Amy Hauck Newman et al.

Journal of medicinal chemistry, 52(8), 2559-2570 (2009-04-01)

In the present report, the D3 receptor pharmacophore is modified in the 2,3-diCl- and 2-OCH(3)-phenylpiperazine class of compounds with the goal to improve D3 receptor affinity and selectivity. This extension of structure-activity relationships (SAR) has resulted in the identification of

D. Seebach et al.

Liebigs Ann. Chem., 1007-1007 (1990)

Global Trade Item Number

SKU	GTIN
16995-1ML	04061837391934