5-Nitrofurfural diacetate
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5-Nitrofurfural diacetate
structure -
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CAS No:
92-55-7
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Formula:
C9H9NO7
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Chemical Name:
5-Nitrofurfural diacetate
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Synonyms:
Methanediol,1-(5-nitro-2-furanyl)-,1,1-diacetate;Methanediol,(5-nitro-2-furanyl)-,diacetate (ester);2-Furanmethanediol,5-nitro-,diacetate;2-(Diacetoxymethyl)-5-nitrofuran;5-Nitrofurfurylidene diacetate;5-Nitro-2-furanmethanediol diacetate;5-Nitrofurfural diacetate;5-Nitrofuraldehyde diacetate;5-Nitro-2-furfurylidene diacetate;NSC 5411;(Acetyloxy)(5-nitrofuran-2-yl)methyl acetate;(Acetyloxy)(5-nitro-2-furyl)methyl acetate;58928-41-9
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CAS No:
5-Nitrofurfural diacetate Basic Attributes
243.17
243.17
255089
202-166-1
7X0X1KNE3Q
5411
DTXSID5020946
2932190090
Characteristics
112
1.1
Yellow Fine Crystalline Powder
1.4±0.1 g/cm3
91 °C
310.3ºC at 760 mmHg
141.5±27.9 °C
1.510
Refrigerator
Safety Information
NONH for all modes of transport
68-40-20/21/22
24/25-36-22-45-36/37/39-7
LU1940000
Xn
Stable under normal temperatures and pressures.
P261-P280-P301 + P312 + P330
H302 + H312 + H332-H351
|Warning|H302+H312+H332 (69.09%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 55 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Nitrofurfural diacetate Use and Manufacturing
It is formed by combining furfural with hydrogen sulfide or sodium hydrosulfide.
For the production of furancillin.
Methanediol, 1-(5-nitro-2-furanyl)-, 1,1-diacetate: ACTIVE
Computed Properties
Molecular Weight:243.17
XLogP3:1.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:243.03790163
Monoisotopic Mass:243.03790163
Topological Polar Surface Area:112
Heavy Atom Count:17
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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