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5-Nitrofurfural

5-Nitrofurfural structure

5-Nitrofurfural 

structure
  • CAS No:

    698-63-5

  • Formula:

    C5H3NO4

  • Chemical Name:

    5-Nitrofurfural

  • 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

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.

Drug Information

5-nitro-2-furaldehyde

5-Nitrofurfural Use and Manufacturing

Methods of Manufacturing

It is derived from furfural through nitration, esterification and hydrolysis.

Uses

Used as pharmaceutical intermediate

Production

(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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