7-Bromoheptanoic Acid - ≥98%(T) , CAS No.30515-28-7

CAS: 30515-28-7 Cat. No.: B138642 Molecular Weight: 209.08 Beilstein Registry Number: 2(3)772 EC Number: 250-225-5

GRADE & PURITY ≥98%(T)

Synonyms

B3671 | Heptanoic acid, 7-bromo- | AMY10966 | FT-0647431 | J-017994 | PD131152 | 7-Bromoenanthic Acid | DS-11082 | MFCD00037800 | 7-bromo heptanoic acid | A26287 | F11868 | 7-Bromoheptanoic acid | 7-Bromo-heptanoic acid | 7-Bromoheptanoicacid | HY-W007714

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

B3671 | Heptanoic acid, 7-bromo- | AMY10966 | FT-0647431 | J-017994 | PD131152 | 7-Bromoenanthic Acid | DS-11082 | MFCD00037800 | 7-bromo heptanoic acid | A26287 | F11868 | 7-Bromoheptanoic acid | 7-Bromo-heptanoic acid | 7-Bromoheptanoicacid | HY-W007714

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504756851
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756851
• Canonical Smiles: C(CCCBr)CCC(=O)O
• IUPAC Name: 7-bromoheptanoic acid
• InChIKey: JLPQXFFMVVPIRW-UHFFFAOYSA-N
• INCHI: 1S/C7H13BrO2/c8-6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)
• Isomeric SMILES: C(CCCBr)CCC(=O)O
• Molecular Weight: 209.08
• Beilstein: 2(3)772
• Reaxy-Rn: 1752112
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752112&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Halogenated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Halogenated fatty acid - Straight chain fatty acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organobromide - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Boil Point(°C): 166°C
• Melt Point(°C): 28°C-34°C
• Molecular Weight: 209.080 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 208.01 Da
• Monoisotopic Mass: 208.01 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.600
• 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

References

1. Lan Zhang, Xia Yang, Ming Xu, Jujia Zhang, Yunsheng Ding, Haibing Wei.  (2025)  Achieving ultrastable poly(m-terphenylene alkylene) anion exchange membranes through quinuclidinium cation and spacer optimization.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.124326]