478334
4-甲基-2-异氰酸硝基苯
95%
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关于此项目
线性分子式:
CH3C6H3(NO2)NCO
化学文摘社编号:
分子量:
178.14
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
95%
InChI
1S/C8H6N2O3/c1-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
SMILES string
Cc1ccc(N=C=O)c(c1)[N+]([O-])=O
InChI key
RTXDHIPQKZLDJD-UHFFFAOYSA-N
assay
95%
mp
57-61 °C (lit.)
storage temp.
2-8°C
General description
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.
Application
4-Methyl-2-nitrophenyl isocyanate may be used in the preparation 4-methylphenyl analog of 2-[(2-nitrophenyl)amino]furanone.
signalword
Danger
Hazard Classifications
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
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
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
法规信息
新产品
此项目有
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)
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)
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