174335

2-Amino-5-chlorobenzonitrile

98%

• Synonym(s): 5-Chloroanthranilonitrile
• Linear Formula: H₂NC₆H₃(Cl)CN
• CAS Number: 5922-60-1
• Molecular Weight: 152.58
• EC Number: 227-651-5
• MDL number: MFCD00017106
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850479
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• bp: 132-135 °C/0.5 mmHg (lit.)
• mp: 96-99 °C (lit.)
• SMILES string: Nc1ccc(Cl)cc1C#N
• InChI: 1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
• InChI key: QYRDWARBHMCOAG-UHFFFAOYSA-N

Description

General description

The vibrational spectra of 2-amino-5-chlorobenzonitrile was studied using density functinal theory.

Application

2-Amino-5-chlorobenzonitrile was used to build up the 2,2-dioxide-1H-2,1,3-benzothiadiazine ring system.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335,H412
• pcodes: P273 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves