2,4-D methyl ester - ≥98% , CAS No.1928-38-7

CAS: 1928-38-7 Cat. No.: D355779 분자식: C₉H₈Cl₂O₃ 분자량: 235.07 EC 번호: 217-670-7

GRADE & PURITY ≥98%

Synonyms

HWIGZMADSFQMOI-UHFFFAOYSA-N | 2,4-D methyl ester, PESTANAL(R), analytical standard | NCGC00094534-01 | AKOS001581160 | Caswell No. 315AW | KBio3_001891 | Methyl 2,4-D ester | Acetic acid,4-dichlorophenoxy)-, methyl ester | J-521802 | KBio2_002374 | 2,4-D,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

HWIGZMADSFQMOI-UHFFFAOYSA-N | 2,4-D methyl ester, PESTANAL(R), analytical standard | NCGC00094534-01 | AKOS001581160 | Caswell No. 315AW | KBio3_001891 | Methyl 2,4-D ester | Acetic acid,4-dichlorophenoxy)-, methyl ester | J-521802 | KBio2_002374 | 2,4-D,

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504750488
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750488
• 정식 스마일: COC(=O)COC1=C(C=C(C=C1)Cl)Cl
• IUPAC Name: methyl 2-(2,4-dichlorophenoxy)acetate
• InChIKey: HWIGZMADSFQMOI-UHFFFAOYSA-N
• INCHI: 1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3
• 이성체 SMILES: COC(=O)COC1=C(C=C(C=C1)Cl)Cl
• UN 번호: 3077
• 포장 그룹: III
• 분자량: 235.07
• Reaxy-Rn: 2053392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2053392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organochloride - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

관련 대상(인간)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 발화점(°C): 124 °C
• 녹는점(°C): 42 °C
• 분자량: 235.060 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 233.985 Da
• Monoisotopic Mass: 233.985 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 198.000
• 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

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1928-38-7, the molecular formula is C9H8Cl2O3, and the molecular weight is 235.07 g/mol. InChIKey HWIGZMADSFQMOI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.