Dinoseb Standard - 2000ug/ml in high purity Methanol , CAS No.88-85-7

CAS: 88-85-7 Cat. No.: D128203 분자식: C₁₀H₁₂N₂O₅ 분자량: 240.21 EC 번호: 201-861-7

GRADE & PURITY 2000ug/ml in high purity Methanol

Synonyms

2-(1-Methylpropyl)-4,6-dinitrophenol | Dow general weed killer | 4,6-Dinitro-2-(1-methyl-propyl)phenol | NCGC00164373-01 | DNOSBP | NSC 202753 | Phenotan | Tubotox | 4,6-Dinitro-2-(1-methyl-n-propyl)phenol | 4,6-Dinitro-2-(2-butyl)phenol | Gebutox | 2-(bu

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

개요

Application：

Dinoseb may be used as a reference standard in the analysis of dinoseb residues in samples of raspberry extract using high performance liquid chromatography coupled with ultraviolet-visible light detector (HPLC-UV).

Specifications

동의어

2-(1-Methylpropyl)-4,6-dinitrophenol | Dow general weed killer | 4,6-Dinitro-2-(1-methyl-propyl)phenol | NCGC00164373-01 | DNOSBP | NSC 202753 | Phenotan | Tubotox | 4,6-Dinitro-2-(1-methyl-n-propyl)phenol | 4,6-Dinitro-2-(2-butyl)phenol | Gebutox | 2-(bu

사양 및 순도

2000ug/ml in high purity Methanol

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice,FedEx DG Service

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이름과 식별자

• Pubchem Sid: 528771140
• 정식 스마일: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
• IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol
• InChIKey: OWZPCEFYPSAJFR-UHFFFAOYSA-N
• INCHI: 1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
• 이성체 SMILES: CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O
• WGK 독일: 2
• UN 번호: 2779
• 포장 그룹: I
• 분자량: 240.21
• Reaxy-Rn: 2058234
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2058234&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinitrophenols
• Alternative Parents: Phenylpropanes Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitrophenol - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.
• External Descriptors: Nitrophenol herbicides

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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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관련 대상(비인간)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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

psbA Photosystem Q(B) protein (72 Activities)

Discover Target: psbA

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

Poa annua (183 Activities)

Explore this target

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 240.210 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 240.075 Da
• Monoisotopic Mass: 240.075 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 298.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Hao Huang, Hui-Long Wang, Wen-Feng Jiang.  (2024)  Correction and new understanding of the reactivity of illuminated tungsten trioxide in the dark: antecedents and consequences of photo-storage electrons triggering Fenton reactions.  Journal of Materials Chemistry A,  12  (12): (7257-7271).  [PMID:] [10.1039/D3TA07689J]