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About This Item
Empirical Formula (Hill Notation):
C5H4O2
CAS Number:
Molecular Weight:
96.08
EC Number:
202-627-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
105755
MDL number:
vapor density
3.31 (vs air)
vapor pressure
13.5 mmHg ( 55 °C)
autoignition temp.
599 °F
expl. lim.
19.3 %
refractive index
n20/D 1.525 (lit.)
bp
162 °C (lit.)
mp
−36 °C (lit.)
density
1.16 g/mL at 25 °C (lit.)
SMILES string
[H]C(=O)c1ccco1
InChI
1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChI key
HYBBIBNJHNGZAN-UHFFFAOYSA-N
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signalword
Danger
Hazard Classifications
Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Aquatic Chronic 3 - Carc. 2 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 2
flash_point_f
136.4 °F - closed cup
flash_point_c
58 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Jianmin Zhang et al.
Journal of medicinal chemistry, 50(8), 1850-1864 (2007-03-27)
The 3C-like protease (3CLpro), which controls the severe acute respiratory syndrome (SARS) coronavirus replication, has been identified as a potential target for drug design in the treatment of SARS. A series of tetrapeptide phthalhydrazide ketones, pyridinyl esters, and their analogs
Arvind H Jadhav et al.
Bioresource technology, 132, 342-350 (2013-02-26)
Acidity modified silver exchanged silicotungstic acid (AgSTA) catalyst was prepared and characterized by X-ray diffraction, FT-IR spectroscopy, Raman spectroscopy, FT-IR pyridine adsorption, SEM imaging, EDX mapping, and antimicrobial activity was also tested. The catalytic activity was evaluated for the dehydration
Tim Ståhlberg et al.
ChemSusChem, 4(4), 451-458 (2011-01-29)
The synthesis of 5-(hydroxymethyl)furfural (HMF) in ionic liquids is a field that has grown rapidly in recent years. Unique dissolving properties for crude biomass in combination with a high selectivity for HMF formation from hexose sugars make ionic liquids attractive


