MCPA - ≥98%(T) , CAS No.94-74-6

CAS: 94-74-6 Cat. No.: M109889 Summenformel: C₉H₉ClO₃ Molekulargewicht: 200.62 EG-Nummer: 202-360-6

QUALITÄT & REINHEIT ≥98%(T)

Synonyms

MCPA [ISO]|Hormotuho|Phenoxylene 50|Empal|Linormone|Methylchlorophenoxyacetic acid|Cekherbex|Cornox-M|Anicon kombi|B-Selektonon M|Legumex db|Leuna M|Phenoxylene super|Rhonox|Rhomenc|((4-Chloro-o-tolyl)oxy)acetic acid|(4-Chloro-2-methylphenoxy)acetic acid|Dikotes|Mephanac|Acetic acid, (4-chloro-2-methylphenoxy)-|MCPA [BSI:ISO]|[(4-Chloro-o-tolyl)oxy]acetic acid|2-Methyl-4-chlorphenoxyessigsaeure [German]|MCPA|Weedone mcpa ester|Acetic acid, 2-(4-chloro-2-methylphenoxy)-|Trasan|Weedar MCPA|(4-Chloro-o-cresoxy)acetic acid|Agroxon|Chwastox|Acetic acid, [(4-chloro-o-tolyl)oxy]-|M 40|Okultin M|Chwastox 30|MCPA [Chlorophenoxy herbicides]|Netazol|4-Chloro-o-toloxyacetic acid|Cornox|Dicopur-M|Dikotex|Metaxon|Phenoxylene plus|Agritox 50|Raphone|Razol dock killer|Selektonon M|2-METHYL-4-CHLOROPHENOXYACETIC ACID|2-Methyl-4-chlorophenoxyaceticacid|Herbicide M|Acme MCPA Amine 4|Zelan|(2-Methyl-4-chlorophenoxy)acetic acid|Mecaphar|Seppic mmd|Vacate|Acetic acid, ((4-chloro-o-tolyl)oxy)-|Agricorn 500 II|Hedapur M 52|Hedarex M|Kyselina 4-chlor-2-methylfenoxyoctova|2-Methyl-4-chlorphenoxyessigsaeure|Agroxone|Kwas 4-chloro-2-metylofenoksyoctowy [Polish]|Leyspray|Ustinex|(4-Chloro-o-toloxy)acetic acid|Brominal M & plus|Kwas 4-chloro-2-metylofenoksyoctowy|2-(4-Chloro-2-methylphenoxy)acetic acid|2-(4-chloro-2-methyl-phenoxy)acetic acid|Agritox|Atlas MCPA|Hedonal M|Chwastox Extra|Rhomene|Vesakontuho mcpa|2,4-MCPA|Kilsem|Banvel M|Emcepan|(4-Chloro-2-methylphenoxy)aceticAcid-13C6|Albar-M|Bordermaster|Hornotuho|Anicon M|Chiptox|Soviet technical herbicide 2M-4C|Aceticacid, 2-(4-chloro-2-methylphenoxy)-

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

MCPA [ISO] | Hormotuho | Phenoxylene 50 | Empal | Linormone | Methylchlorophenoxyacetic acid | Cekherbex | Cornox-M | Anicon kombi | B-Selektonon M | Legumex db | Leuna M | Phenoxylene super | Rhonox | Rhomenc | ((4-Chloro-o-tolyl)oxy)acetic acid | (4-Chloro-2-methylphenoxy)acetic acid | Dikotes | Mephanac | Acetic acid, (4-chloro-2-methy Show more

Spezifikationen & Reinheit

≥98%(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(T)

Namen und Kennungen

Pubchem Sid

508808421

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808421

Kanonisches Lächeln

CC1=C(C=CC(=C1)Cl)OCC(=O)O

IUPAC Name

2-(4-chloro-2-methylphenoxy)acetic acid

InChIKey

WHKUVVPPKQRRBV-UHFFFAOYSA-N

INCHI

1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)

Isomere SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)O

UN-Nummer

3077(international)

Verpackungsgruppe

III

Molekulargewicht

200.62

Reaxy-Rn

2051752

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2051752&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorophenoxyacetates
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorophenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as chlorophenoxyacetates. These are compounds containing a phenoxyacetate that carries one or more chlorine atoms on the benzene ring.
• External Descriptors: Phenoxy 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

Zugehörige Ziele (menschlich)

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

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

PTGDR Tclin Prostanoid DP receptor (1356 Activities)

Discover Target: PTGDR

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

PTGDR2 Tchem G protein-coupled receptor 44 (4688 Activities)

Discover Target: PTGDR2

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Zugehörige Ziele (nicht menschlich)

Rattus norvegicus (775804 Activities)

Explore this target

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

Plasma (328 Activities)

Explore this target

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Degree of Solubility in water: 630 mg/l 25 °C; Very soluble in Ethanol; Soluble in Methanol,Benzene,Toluene,Ether
• Schmelzpunkt (°C): 114-118°C
• Molekulargewicht: 200.620 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.024 Da
• Monoisotopic Mass: 200.024 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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