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142255

Sigma-Aldrich

6-Chloro-2-nitrobenzonitrile

98%

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About This Item

Linear Formula:
ClC6H3(NO2)CN
CAS Number:
6575-07-1
Molecular Weight:
182.56
EC Number:
229-496-9
MDL number:
MFCD00007203
UNSPSC Code:
12352100
PubChem Substance ID:
24848388

Assay

98%

mp

116-118 °C (lit.)

functional group

chloro
nitrile
nitro

SMILES string

[O-][N+](=O)c1cccc(Cl)c1C#N

InChI

1S/C7H3ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H

InChI key

ZHLCARBDIRRRHD-UHFFFAOYSA-N

Application

6-Chloro-2-nitrobenzonitrile was used as reagent during the synthesis of benzo[b]thiophene-2-carboxylate esters.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
01717EH
17323KA
15826EW
04405BV
00201JT

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Direct synthesis of benzo [b] thiophene-2-carboxylate esters involving nitro displacement.
Beck JR.
The Journal of Organic Chemistry, 37(21), 3224-3226 (1972)

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