164771

3-Aminobenzonitrile

99%

• Synonym(s): 3-Cyanoaniline
• Linear Formula: H₂NC₆H₄CN
• CAS Number: 2237-30-1
• Molecular Weight: 118.14
• Beilstein/REAXYS Number: 636498
• EC Number: 218-800-5
• MDL number: MFCD00007756
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850100
• NACRES: NA.22

Properties

• Quality Level: 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

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H317
• pcodes: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Skin Sens. 1
• Storage Class: 11 - Combustible Solids
• wgk_germany: 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