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Merck
CN

16995

(S)-(−)-(2-Bromoethyl)oxirane

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

Key Documents

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InChI

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

SMILES string

BrCC[C@H]1CO1

InChI key

ZKODPGZNBMIZFX-BYPYZUCNSA-N

grade

technical

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.)

Quality Level

100

Other Notes

Versatile bifunctional chiral building block with two different electrophilic centers

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

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)
D. Seebach et al.
Liebigs Ann. Chem., 1007-1007 (1990)
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

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