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5-Nitro-2-furaldehyde Diacetate - >97.0%, high purity , CAS No.92-55-7

COA

Grade & Purity:

≥97%

Cas Number: 92-55-7
Molecular Weight: 243.17
MDL number: MFCD00003244
PubChem CID: 7097
PubChem SID: 488180282

In stock

Item Number

N159185

Grouped product items
SKU	Size	Availability	Price
N159185-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$118.90
N159185-100g	100g	9	$427.90
N159185-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,923.90

View related series

Five-Membered Heterocyclic Compounds (2064) furan (202)

Basic Description

Synonyms	UNII-7X0X1KNE3Q \| DS-6423 \| MFCD00003244 \| EINECS 202-166-1 \| 5-Nitrofurfural Diacetyl Acetal \| 5-Nitrofurfurylidene diacetate \| Methanediol, (5-nitro-2-furanyl)-, diacetate (ester) (8CI,9CI); 2-(Diacetoxymethyl)-5-nitrofuran \| Nitrofural impurity B \| 5-N
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Furans
    - Subclass Nitrofurans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Furans
Subclass	Nitrofurans
Intermediate Tree Nodes	Not available
Direct Parent	Nitrofurans
Alternative Parents	Nitroaromatic compounds Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - 2-nitrofuran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Acetal - Oxacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488180282
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180282
IUPAC Name	[acetyloxy-(5-nitrofuran-2-yl)methyl] acetate
INCHI	InChI=1S/C9H9NO7/c1-5(11)15-9(16-6(2)12)7-3-4-8(17-7)10(13)14/h3-4,9H,1-2H3
InChIKey	HSXKWKJCZNRMJO-UHFFFAOYSA-N
Smiles	CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C
Isomeric SMILES	CC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)C
RTECS	LU1940000
Molecular Weight	243.17
Reaxy-Rn	255089
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=255089&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
J2012174	Certificate of Analysis	Aug 20, 2024	N159185
J2012175	Certificate of Analysis	Aug 20, 2024	N159185
L2205263	Certificate of Analysis	Sep 12, 2022	N159185
L2205266	Certificate of Analysis	Sep 12, 2022	N159185
L2205265	Certificate of Analysis	Sep 12, 2022	N159185
L2205264	Certificate of Analysis	Sep 12, 2022	N159185
L2205290	Certificate of Analysis	Sep 12, 2022	N159185
H2217049	Certificate of Analysis	Aug 19, 2022	N159185
D2323812	Certificate of Analysis	Aug 19, 2022	N159185
H2217046	Certificate of Analysis	Aug 19, 2022	N159185

Chemical and Physical Properties

Melt Point(°C)	91 °C
Molecular Weight	243.170 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	243.038 Da
Monoisotopic Mass	243.038 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	308.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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