487309
异氰酸-4-氟苄酯
98%
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线性分子式:
FC6H4CH2NCO
化学文摘社编号:
分子量:
151.14
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C8H6FNO/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
SMILES string
Fc1ccc(CN=C=O)cc1
InChI key
HHSIWJYERNCLKQ-UHFFFAOYSA-N
assay
98%
refractive index
n20/D 1.505 (lit.)
bp
211 °C (lit.)
density
1.186 g/mL at 25 °C (lit.)
functional group
amine, fluoro, isocyanate
storage temp.
−20°C
Quality Level
General description
4-Fluorobenzyl isocyanate, also known as 1-fluoro-4-(isocyanatomethyl)benzene, is an organic building block containing an isocyanate group.
Application
4-Fluorobenzyl isocyanate may be used as a reagent in the synthesis of 3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide and (S)-2-(4-fluorobenzyl)-7-hydroxy-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione.
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
199.4 °F - closed cup
flash_point_c
93 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
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Naoe Okamura et al.
The Journal of pharmacology and experimental therapeutics, 325(3), 893-901 (2008-03-14)
Neuropeptide S (NPS) has been shown to modulate arousal, sleep wakefulness, anxiety-like behavior, and feeding after central administration of the peptide agonist to mice or rats. We report here the chemical synthesis and pharmacological characterization of SHA 66 (3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid
Harald M H G Albers et al.
Journal of medicinal chemistry, 54(13), 4619-4626 (2011-05-28)
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