511935
4-异氰酰基苯甲酸甲酯
98%
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关于此项目
线性分子式:
OCNC6H4CO2CH3
化学文摘社编号:
分子量:
177.16
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
SMILES string
COC(=O)c1ccc(cc1)N=C=O
InChI key
FQDDBYGPHUUTRN-UHFFFAOYSA-N
assay
98%
mp
50-52 °C (lit.)
functional group
ester, isocyanate
storage temp.
2-8°C
Quality Level
General description
Methyl 4-isocyanatobenzoate is an organic building block containing an isocyanate group.
Application
Methyl 4-isocyanatobenzoate may be used in the preparation of benzimidazole-1-carboxamide-[N-(4-methylbenzoate)] 2-methylcarbamate. This compound shows significant antitumor potency against the prostate cancer cells.
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
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
法规信息
新产品
此项目有
Synthesis and antitumor activity of heterocycles related to carbendazim.
Remers WA, et al.
Journal of Heterocyclic Chemistry, 52(1), 136-141 (2015)
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