472220
异氰酸-4-氟-3-(三氟甲基)苯酯
97%
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关于此项目
线性分子式:
FC6H3(CF3)NCO
化学文摘社编号:
分子量:
205.11
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
97%
InChI
1S/C8H3F4NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
SMILES string
Fc1ccc(cc1C(F)(F)F)N=C=O
InChI key
OPPYFFRLKJUEOS-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.461 (lit.)
bp
48 °C/1 mmHg (lit.)
density
1.44 g/mL at 25 °C (lit.)
functional group
fluoro, isocyanate
Application
4-Fluoro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of the following:
- pyrazine and pyrimidine analogs of biarylamines
- N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N′-[4- fluoro-3-(trifluoromethyl)phenyl]-N-[2-(3(R)-hydroxy-1-pyrrolidinyl]ethyl]urea
- N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N′-[4- fluoro-3-(trifluoromethyl)phenyl]-N-[2-(4-methyl-1-piperazinyl)- ethyl]urea
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
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
176.0 °F - closed cup
flash_point_c
80 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Bicyclic [4.1. 0] heptanes as phenyl replacements for melanin concentrating hormone receptor antagonists.
Xu, Ruo, et al.
Bioorganic & Medicinal Chemistry, 14(10), 3285-3299 (2006)
Discovery of orally efficacious melanin-concentrating hormone receptor-1 antagonists as antiobesity agents. Synthesis, SAR, and biological evaluation of bicyclo [3.1. 0] hexyl ureas.
McBriar MD, et al.
Journal of Medicinal Chemistry, 49(7), 2294-2310 (2006)
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