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5-Nitro-2-furancarboxylic Acid - 98%, high purity , CAS No.645-12-5

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5-Nitro-2-furancarboxylic Acid - 98%, high purity , CAS No.645-12-5

COA

Grade & Purity:

≥98%

Cas Number: 645-12-5
Molecular Weight: 157.08
Beilstein Registry Number: 139373
MDL number: MFCD00003240
PubChem CID: 12577
PubChem SID: 504752368

In stock

Item Number

N159187

Grouped product items
SKU	Size	Availability	Price
N159187-1g	1g	5	$13.90
N159187-5g	5g	2	$50.90
N159187-25g	25g	1	$226.90
N159187-100g	100g	1	$813.90

View related series

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

Basic Description

Synonyms	5-Nitro-2-furancarboxylic Acid \| 5-nitro-2-furan-carboxylic acid \| 5-Nitro-furan-2-carboxylic acid \| 5-Nitrofuran-2-carboxylic acid \| NSC6452 \| NSC-6452 \| SCHEMBL1221377 \| EINECS 211-432-6 \| N0557 \| Nitrofurate \| STL164369 \| F16228 \| 2-Furoic acid, 5-nitr
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Usually used in the preparation of [1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and [1,2,4]triazolo[3,4-b][1,3,4] thiadiazoles.

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 Furoic acids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Furoic acid - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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

Associated Targets(non-human)

TPR Trypanothione reductase (189 Activities)

Discover Target: TPR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Leishmania infantum (5912 Activities)

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Trypanosoma brucei (78846 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trypanosoma cruzi (99888 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	504752368
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752368
IUPAC Name	5-nitrofuran-2-carboxylic acid
INCHI	InChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)
InChIKey	IODMEDPPCXSFLD-UHFFFAOYSA-N
Smiles	C1=C(OC(=C1)[N+](=O)[O-])C(=O)O
Isomeric SMILES	C1=C(OC(=C1)[N+](=O)[O-])C(=O)O
WGK Germany	3
RTECS	LV2012000
Molecular Weight	157.08
Beilstein	139373
Reaxy-Rn	139373
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139373&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot Number	Certificate Type	Date	Item
J2326553	Certificate of Analysis	Oct 17, 2023	N159187
J2326554	Certificate of Analysis	Oct 17, 2023	N159187
J2326555	Certificate of Analysis	Oct 17, 2023	N159187
I2312587	Certificate of Analysis	Aug 31, 2023	N159187
I2312585	Certificate of Analysis	Aug 31, 2023	N159187
I2312575	Certificate of Analysis	Aug 31, 2023	N159187
I2312579	Certificate of Analysis	Aug 31, 2023	N159187
I2312577	Certificate of Analysis	Aug 31, 2023	N159187
I2312581	Certificate of Analysis	Aug 31, 2023	N159187
I2312583	Certificate of Analysis	Aug 31, 2023	N159187
F1925001	Certificate of Analysis	Apr 12, 2023	N159187

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Chemical and Physical Properties

Solubility	Slightly soluble in water.
Melt Point(°C)	186 °C
Molecular Weight	157.080 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	157.001 Da
Monoisotopic Mass	157.001 Da
Topological Polar Surface Area	96.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	186.000
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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5-Nitro-2-furancarboxylic Acid - 98%, high purity , CAS No.645-12-5

Basic Description

Taxonomic Classification

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

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

Show more⌵

Chemical and Physical Properties

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Reviews

Customer Reviews