478334
4-甲基-2-异氰酸硝基苯
95%
方案
95%
mp
57-61 °C (lit.)
储存温度
2-8°C
SMILES字符串
Cc1ccc(N=C=O)c(c1)[N+]([O-])=O
InChI
1S/C8H6N2O3/c1-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
InChI key
RTXDHIPQKZLDJD-UHFFFAOYSA-N
一般描述
4-Methyl-2-nitrophenyl isocyanate, also known as 1-isocyanato-4-methyl-2-nitrobenzene, is an organic building block containing an isocyanate group. The conformational analysis of 4-methyl-2-nitrophenyl isocyanate has been reported based on its vibrational spectral data and density functional theory (DFT) calculations.
应用
4-Methyl-2-nitrophenyl isocyanate may be used in the preparation 4-methylphenyl analog of 2-[(2-nitrophenyl)amino]furanone.
警示用语：
Danger
危险分类
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
靶器官
Respiratory system
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
235.4 °F - closed cup
闪点(°C)
113 °C - closed cup
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
此项目有
Vibration and DFT analysis of 2-methyl-3-nitrophenyl isocyanate and 4-methyl-2-nitrophenyl isocyanate.
Tonannavar J, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 95, 120-127 (2012)
Synthesis of some novel 1,3-dihydro-2H-benzimidazol-2-ylidenes.
Mack RA, et al.
The Journal of Organic Chemistry, 58(22), 6158-6162 (1993)
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