478261

5-Chloro-2-methylphenyl isocyanate

98%

• 化学式: ClC₆H₃(CH₃)NCO
• CAS番号: 40411-27-6
• 分子量: 167.59
• MDL番号: MFCD00019913
• UNSPSCコード: 12352100
• PubChem Substance ID: 24871484
• NACRES: NA.22

特性

• アッセイ: 98%
• 屈折率: n20/D 1.556 (lit.)
• bp: 115 °C/5 mmHg (lit.)
• 密度: 1.226 g/mL at 25 °C (lit.)
• 保管温度: 2-8°C
• SMILES記法: Cc1ccc(Cl)cc1N=C=O
• InChI: 1S/C8H6ClNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
• InChI Key: XEMUTFNBAICJEO-UHFFFAOYSA-N

詳細

詳細

5-Chloro-2-methylphenyl isocyanate, also known as 4-chloro-2-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group. Its Raman spectra, infrared spectra, ab initio and density functional theory (DFT) calculations have been reported.[1]

アプリケーション

5-Chloro-2-methylphenyl isocyanate may be used in the synthesis of:

• N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea[2]
• N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-urea[2]
• 5-chloro-2-methylphenylcarbamoylated cyclodextrin (CD) chiral stationary phase (CSP)[3]

安全性情報

• ピクトグラム: GHS08,GHS07
• シグナルワード: Danger
• 危険有害性情報: H302 + H312 + H332,H315,H317,H319,H334,H335
• 注意書き: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• 危険有害性の分類: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• 引火点(°F): No data available
• 引火点(℃): No data available
• 個人用保護具 (PPE): dust mask type N95 (US), Eyeshields, Gloves