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Merck
CN

288314

1-Bromo-3,4-(methylenedioxy)benzene

97%

Synonym(s):

4-Bromo-1,2-(methylenedioxy)benzene, 5-Bromo-1,3-benzodioxole

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About This Item

Empirical Formula (Hill Notation):
C7H5BrO2
CAS Number:
2635-13-4
Molecular Weight:
201.02
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857332
EC Number:
220-123-5
Beilstein/REAXYS Number:
127407
MDL number:
MFCD00005821

Key Documents

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Product Name

1-Bromo-3,4-(methylenedioxy)benzene, 97%

InChI key

FBOYMIDCHINJKC-UHFFFAOYSA-N

InChI

1S/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2

SMILES string

Brc1ccc2OCOc2c1

assay

97%

form

liquid

refractive index

n20/D 1.583 (lit.)

bp

85-86 °C/1 mmHg (lit.)

density

1.669 g/mL at 25 °C (lit.)

functional group

bromo

Quality Level

100

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General description

The coupling of 1-bromo-3,4-(methylenedioxy)benzene with β-methallyl alcohol was catalyzed by Pd(OAc)2 in combination with P(t-Bu)3.

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

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6810
STBJ7941
STBH0388
08311EE
04519AE

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Arylation of ?-methallyl alcohol catalyzed by Pd (OAc)< sub> 2</sub> in combination with P (< i> t</i>-Bu)< sub> 3</sub>: application to fragrance synthesis.
Tetrahedron, 64(3), 543-548 (2008)

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