164771
3-Aminobenzonitrile
99%
Synonym(s):
3-Cyanoaniline
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About This Item
Linear Formula:
H2NC6H4CN
CAS Number:
Molecular Weight:
118.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
218-800-5
Beilstein/REAXYS Number:
636498
MDL number:
Assay:
99%
Form:
solid
Quality Segment
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.
signalword
Warning
hcodes
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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