142255
6-Chloro-2-nitrobenzonitrile
98%
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About This Item
Linear Formula:
ClC6H3(NO2)CN
CAS Number:
Molecular Weight:
182.56
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
229-496-9
MDL number:
Assay:
98%
InChI key
ZHLCARBDIRRRHD-UHFFFAOYSA-N
InChI
1S/C7H3ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H
SMILES string
[O-][N+](=O)c1cccc(Cl)c1C#N
assay
98%
mp
116-118 °C (lit.)
functional group
chloro, nitrile, nitro
Application
6-Chloro-2-nitrobenzonitrile was used as reagent during the synthesis of benzo[b]thiophene-2-carboxylate esters.
signalword
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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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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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