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4-Bromo-2-furoic acid - 97%, high purity , CAS No.3439-02-9
Basic Description
Synonyms
4-Bromo-2-furoic acid | 4-bromo furan-2-carboxylic acid | SCHEMBL279705 | 2-FURANCARBOXYLIC ACID, 4-BROMO- | AKOS006275166 | AB03318 | EN300-137612 | 4-BROMOFURAN-2-CARBOXYLICACID | MFCD00092494 | 4-BROMO-2-FURANCARBOXYLIC ACID | AMY6482 | N1-(3-(Diethyla
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Furoic acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furoic acids
Alternative Parents
Aryl bromides Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid - Aryl halide - Aryl bromide - Heteroaromatic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
4-bromofuran-2-carboxylic acid
INCHI
InChI=1S/C5H3BrO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
InChIKey
QALYBHRYGIXHOF-UHFFFAOYSA-N
Smiles
C1=C(OC=C1Br)C(=O)O
Isomeric SMILES
C1=C(OC=C1Br)C(=O)O
Molecular Weight
190.98
Reaxy-Rn
119322
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=119322&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
190.980 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
189.927 Da
Monoisotopic Mass
189.927 Da
Topological Polar Surface Area
50.400 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
125.000
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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L2307327