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About This Item
線性公式:
ClC6H3(CH3)NCO
CAS號碼:
分子量：:
167.59
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
推薦產品
化驗
98%
折射率
n20/D 1.556 (lit.)
bp
115 °C/5 mmHg (lit.)
密度
1.226 g/mL at 25 °C (lit.)
儲存溫度
2-8°C
SMILES 字串
Cc1ccc(Cl)cc1N=C=O
InChI
1S/C8H6ClNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
InChI 密鑰
XEMUTFNBAICJEO-UHFFFAOYSA-N
一般說明
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.
應用
5-Chloro-2-methylphenyl isocyanate may be used in the synthesis of:
- N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-thiourea
- N-(5-chloro-2-methyphenyl)-N′-(1-methylethyl)-urea
- 5-chloro-2-methylphenylcarbamoylated cyclodextrin (CD) chiral stationary phase (CSP)
訊號詞
Danger
危險分類
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
標靶器官
Respiratory system
儲存類別代碼
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
水污染物質分類（WGK）
WGK 3
閃點（°F）
No data available
閃點（°C）
No data available
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
Yuzhou Lin et al.
Journal of chromatography. A, 1406, 342-346 (2015-07-04)
In this work, two cyclodextrin (CD) chiral stationary phases (CSPs) have been developed by clicking per-4-chloro-3-methylphenylcarbamoylated mono-6(A)-azido-β-CD (CSP1) and per-5-chloro-2-methylphenylcarbamoylated mono-6(A)-azido-β-CD (CSP2) onto alkynylated silica support. The enantioslectivies of the as-obtained new CSPs have been evaluated using 29 model racemates
The vibrational spectra, assignments and ab initio/DFT analysis for 3-chloro, 4-chloro and 5-chloro-2-methylphenyl isocyanates.
Doddamani SB, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 67(1), 150-159 (2007)
Thomas J F Nieland et al.
Journal of lipid research, 48(8), 1832-1845 (2007-05-30)
Treatment of atherosclerotic disease often focuses on reducing plasma LDL-cholesterol or increasing plasma HDL-cholesterol. We examined in vitro the effects on HDL receptor [scavenger receptor class B type I (SR-BI)] activity of three classes of clinical and experimental plasma HDL-cholesterol-elevating
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