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144495

1-Iodo-3-nitrobenzene

99%

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About This Item

Linear Formula:
IC6H4NO2
CAS Number:
645-00-1
Molecular Weight:
249.01
NACRES:
NA.22
PubChem Substance ID:
24848660
UNSPSC Code:
12352100
EC Number:
211-427-9
MDL number:
MFCD00007218
Assay:
99%
Form:
solid
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Quality Segment

100

assay

99%

form

solid

bp

280 °C (lit.)

mp

36-38 °C (lit.)

functional group

iodo, nitro

SMILES string

[O-][N+](=O)c1cccc(I)c1

InChI

1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChI key

CBYAZOKPJYBCHE-UHFFFAOYSA-N

Application

1-Iodo-3-nitrobenzene was used in the synthesis of 5-substituted pyrrolo[3,2-b]pyridine amide and 3′-nitro-4-methylthiobiphenyl. It was used in palladium(0) catalyzed cross-coupling reaction between heteroarylzinc iodide and unsaturated iodide.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Flam. Sol. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

4.1B - Flammable solid hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type P3 (EN 143) respirator cartridges

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