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2,4-Dibromobenzoic Acid - >98.0%, high purity , CAS No.611-00-7
Basic Description
Synonyms
2,4-Dibromobenzoicacid | STL554993 | AKOS005257271 | SY022642 | A8488 | CL8011 | AM83988 | DTXSID60209971 | NAGGYODWMPFKJQ-UHFFFAOYSA-N | EINECS 210-245-7 | UNII-VN4H7899AA | MFCD00234253 | 2,4-DIBROMOBENZOIC ACID | 2,4-dibromo-benzoic acid | Z1259341990
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
4-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Bromobenzenes Aryl bromides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
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
Pubchem Sid
504752217
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752217
IUPAC Name
2,4-dibromobenzoic acid
INCHI
InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
NAGGYODWMPFKJQ-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1Br)Br)C(=O)O
Isomeric SMILES
C1=CC(=C(C=C1Br)Br)C(=O)O
Molecular Weight
279.92
Reaxy-Rn
2614293
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614293&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Melt Point(°C)
171.0-175.0℃
Molecular Weight
279.910 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
279.856 Da
Monoisotopic Mass
277.858 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
161.000
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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I1906034