405280

2-アミノ-4-クロロベンゾニトリル

99%

• 別名: 4-クロロアントラニロニトリル, 5-クロロ-2-シアノアニリン
• 化学式: H₂NC₆H₃(Cl)CN
• CAS番号: 38487-86-4
• 分子量: 152.58
• Beilstein: 2085559
• EC Number: 253-967-8
• MDL番号: MFCD00035927
• UNSPSCコード: 12352100
• PubChem Substance ID: 24865306
• NACRES: NA.22

特性

• 品質水準: 100
• アッセイ: 99%
• フォーム: powder
• mp: 157-162 °C (lit.)
• 官能基: chloro; nitrile
• SMILES記法: Nc1cc(Cl)ccc1C#N
• InChI: 1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
• InChI Key: UZHALXIAWJOLLR-UHFFFAOYSA-N

詳細

詳細

2-Amino-4-chlorobenzonitrile (2A4CBN) is a benzonitrile derivative. A study of the molecular structure, vibrational spectra and NBO analysis of 2A4CBN has been undertaken. Transformation of 2A4CBN into quinazoline-2,4(1H,3H)-diones at atmospheric pressure of CO₂ in the presence of monomeric tungstate, TBA₂[WO₄] (TBA = tetra-n-butylammonium) has been reported.

アプリケーション

2-Amino-4-chlorobenzonitrile may be used in the preparation of the following:

• 6-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
• 7-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
• 4,7-dichloro-2-(2-methylprop-1-enyl)-6-nitroquinazoline
• 6-chlorotacrine
• N-(2-chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H315,H319,H335
• 注意書き: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危険有害性の分類: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 11 - Combustible Solids
• WGK: WGK 3
• 引火点(°F): Not applicable
• 引火点(℃): Not applicable
• 個人用保護具 (PPE): dust mask type N95 (US), Eyeshields, Gloves