所有图片(2)
About This Item
线性分子式:
OCNC6H4CO2C2H5
CAS号:
分子量:
191.18
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
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质量水平
方案
97%
表单
solid
沸点
118-119 °C/0.8 mmHg (lit.)
mp
27-29 °C (lit.)
官能团
ester
isocyanate
储存温度
2-8°C
SMILES字符串
CCOC(=O)c1ccc(cc1)N=C=O
InChI
1S/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3
InChI key
CFEPCPHKICBCJV-UHFFFAOYSA-N
应用
Ethyl 4-isocyanatobenzoate was used in the preparation of cellulose carbamate and ester derivatives. It was also used in the preparation of ethyl 4-(3-(4-oxo-6-tridecyl-1,4-dihydropyrimidin-2-yl)ureido)benzoate and ethyl 4-(2-oxocyclohexanecarboxamido)benzoate.
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)
>230.0 °F - closed cup
闪点(°C)
> 110 °C - closed cup
个人防护装备
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Electronic substituent effects on hydrogen-bonding motifs modulate supramolecular polymerisation.
Pellizzaro ML, et al.
Royal Society of Chemistry Advances, 3(9), 3103-3108 (2013)
Cellulose derivatives synthesized via isocyanate and activated ester pathways in homogeneous solutions of lithium chloride/N, N-dimethylacetamide.
Williamson SL and McCormick CL.
J. Macromol. Sci., Pure Appl. Chem., 35(12), 1915-1927 (1998)
Chun-Ho Park et al.
Bioorganic & medicinal chemistry letters, 20(7), 2250-2253 (2010-03-02)
Highly potent poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors, including 9-hydroxy-1,2-dihydro-4H-thiopyrano[3,4-c]quinolin-5(6H)-one derivatives with a non-aromatic A-ring, were synthesized. Among the derivatives, 12a showed low nanomolar enzyme and cellular activity (IC(50) = 42 nM, ED(50) = 220 nM) with good water solubility. Further, 12a exhibited
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