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Sigma-Aldrich

5-Chloro-2-nitrobenzonitrile

97%

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About This Item

Linear Formula:
ClC6H3(NO2)CN
CAS Number:
34662-31-2
Molecular Weight:
182.56
EC Number:
252-132-5
MDL number:
MFCD00007286
UNSPSC Code:
12352100
PubChem Substance ID:
24847230
NACRES:
NA.22

Assay

97%

form

solid

mp

89-91 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc(Cl)cc1C#N

InChI

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

InChI key

HPWJUEZFOUOUEO-UHFFFAOYSA-N

Application

5-Chloro-2-nitrobenzonitrile has been used in the preparation of a series of 2,4-diamino-6-[(aralkyl and alicyclic)thio-, sulfinyl-, and sulfonyl]quinazolines by condensation reaction.

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

Certificates of Analysis (COA)

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E F Elslager et al.
Journal of medicinal chemistry, 21(7), 639-643 (1978-07-01)
A series of 2,4-diamino-6-[(aralkyl and alicyclic)thio-, sulfinyl-, and sulfonyl]quinazolines was prepared via condensation of 5-chloro-2-nitrobenzonitrile or 5,6-dichloro-2-nitrobenzonitrile with the appropriate aralkyl or alicyclic thiopseudourea, reduction of the resulting 2-nitro-5-[(aralkyl or alicyclic)thio]benzonitrile with stannous chloride to the amine, and cyclization with

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