4-Bromobutyric acid - ≥98% , CAS No.2623-87-2

CAS: 2623-87-2 Cat. No.: B106907 분자식: C₄H₇BrO₂ 분자량: 167.00 Beilstein Registry Number: 1743056 EC 번호: 220-083-9

GRADE & PURITY ≥98%

Synonyms

Garranil | AKOS009031418 | Carboxypropyl bromide | FT-0617878 | B1279 | Blazer | 4PG7LM4DBF | InChI=1/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7) | DTXSID8052699 | SY001501 | EN300-20415 | STL299662 | 4-Bromobutyric acid, 98% | gamma-Bromobutyric acid | GRHQDJ

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

개요

A bifunctional cross-linker

Specifications

동의어

Garranil | AKOS009031418 | Carboxypropyl bromide | FT-0617878 | B1279 | Blazer | 4PG7LM4DBF | InChI=1/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7) | DTXSID8052699 | SY001501 | EN300-20415 | STL299662 | 4-Bromobutyric acid, 98% | gamma-Bromobutyric acid | GRHQDJ

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

508809616

정식 스마일

C(CC(=O)O)CBr

IUPAC Name

4-bromobutanoic acid

InChIKey

GRHQDJDRGZFIPO-UHFFFAOYSA-N

INCHI

1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)

이성체 SMILES

C(CC(=O)O)CBr

WGK 독일

3

UN 번호

3261

분자량

167.00

Beilstein

1743056

Reaxy-Rn

1743056

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743056&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Halogenated fatty acids
• Alternative Parents: 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: Halogenated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as halogenated fatty acids. These are fatty acids with a chain that carries a halogen atom (Cl,F,I,Br).
• 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 발화점(°F): 230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 128-131°C
• 녹는점(°C): 30-31°C
• 분자량: 167.000 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.963 Da
• Monoisotopic Mass: 165.963 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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