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164771

3-Aminobenzonitrile

99%

Synonym(s):

3-Cyanoaniline

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About This Item

Linear Formula:
H2NC6H4CN
CAS Number:
2237-30-1
Molecular Weight:
118.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24850100
EC Number:
218-800-5
Beilstein/REAXYS Number:
636498
MDL number:
MFCD00007756
Assay:
99%
Form:
solid
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Quality Segment

100

assay

99%

form

solid

mp

48-53 °C (lit.)

functional group

nitrile

SMILES string

Nc1cccc(c1)C#N

InChI

1S/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H2

InChI key

NJXPYZHXZZCTNI-UHFFFAOYSA-N

General description

3-Aminobenzonitrile on condensation reaction with 4-isothiocyanato-4-methyl pentane-2-one gives condensed monocyclic pyrimidine derivatives.

Application

3-Aminobenzonitrile was used in the synthesis of series of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles. It was also used in the preparation of highly substituted γ-lactam analogues of a thiazolidinone follicle stimulating hormone receptor agonist.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

233.6 °F - closed cup

flash_point_c

112 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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