2,4-Dibromobenzoic acid - ≥98% , CAS No.611-00-7

CAS: 611-00-7 Cat. No.: D123768 분자식: C₇H₄Br₂O₂ 분자량: 279.92 EC 번호: 210-245-7

등급 & 순도 ≥98%

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

Storage

Room temperature

Shipped In

Normal

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488181467

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181467

정식 스마일

C1=CC(=C(C=C1Br)Br)C(=O)O

IUPAC Name

2,4-dibromobenzoic acid

InChIKey

NAGGYODWMPFKJQ-UHFFFAOYSA-N

INCHI

1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

이성체 SMILES

C1=CC(=C(C=C1Br)Br)C(=O)O

분자량

279.92

Reaxy-Rn

2614293

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614293&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 녹는점(°C): 171.0-175.0℃
• 분자량: 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

자주 묻는 질문

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