5-Nitrofurfural
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5-Nitrofurfural
structure -
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CAS No:
698-63-5
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Formula:
C5H3NO4
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Chemical Name:
5-Nitrofurfural
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Synonyms:
2-Furancarboxaldehyde,5-nitro-;2-Furaldehyde,5-nitro-;5-Nitro-2-furancarboxaldehyde;5-Nitro-2-furaldehyde;5-Nitrofurfural;5-Nitrofurfuraldehyde;5-Nitro-2-furylcarboxaldehyde;2-Formyl-5-nitrofuran;Furadoxyl;NSC 111144;NSC 5574;5-Nitro-2-furylaldehyde
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CAS No:
Description
Yellow to brown crystalline low melting solid
5-Nitrofurfural is a C-nitro compound and a member of furans.
5-Nitrofurfural Basic Attributes
141.08
141.08
120539
211-816-3
XXX18AU0Z3
111144|5574
DTXSID30220097
PALE YELLOW IN PETROLEUM ETHER
29321900
Characteristics
76
1
Yellow to brown Crystalline Low Melting Solid
1.5±0.1 g/cm3
35-36 °C
128-132 °C @ Press: 10 Torr
92 °F
1.580
H2O: sparingly soluble ;SLIGHTLY SOL IN WATER, SOL IN PETROLEUM ETHER
Flammables area
Safety Information
III
3.2
UN 1325 4.1/PG 2
3
11-68-10
16-36/37
LT7200000
F,Xi,Xn
Irritant
Stable under normal temperatures and pressures.
P210
H228
|Warning|H228 (89.8%): Flammable solid [Danger Flammable solids]|P201, P202, P210, P240, P241, P280, P281, P308+P313, P370+P378, P405, and P501|Aggregated GHS information provided by 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Nitrofurfural Use and Manufacturing
It is derived from furfural through nitration, esterification and hydrolysis.
Used as pharmaceutical intermediate
(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US
A METHOD IS DESCRIBED FOR MEASURING 5-NITRO-2-FURALDEHYDE TO LEVELS OF 10 MUG/KG IN ANIMAL TISSUES. 5-NITRO-2-FURALDEHYDE IS PARTITIONED INTO ETHYL ACETATE & MEASURED BY GLC WITH ELECTRON CAPTURE DETECTION.
Computed Properties
Molecular Weight:141.08
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:141.00620758
Monoisotopic Mass:141.00620758
Topological Polar Surface Area:76
Heavy Atom Count:10
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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