Dicamba - analytical standard, ≥99% , CAS No.1918-00-9

CAS: 1918-00-9 Cat. No.: D114718 Formule: C₈H₆Cl₂O₃ Poids moléculaire: 221.04 Beilstein Registry Number: 2453039 Numéro CE: 217-635-6

QUALITÉ & PURETÉ Analytical standard, ≥99%

Synonyms

2,5-Dichloro-6-methoxybenzoic acid|3,6-Dichlor-3-methoxy-benzoesaeure|Banvel 200 (Salt/Mix)|Mdba|Banvel 70WP|Banvel SGF|Brush buster|Compound B dicamba|Banvel herbicide|Dianat [Russian]|Banvel|Dicamba [ANSI:BSI:ISO]|Banvel CST|Banvel 480|Banvel II herbicide|3,6-Dichloro-2-methoxy-d3-benzoic Acid|Dianat|Aviator|3,6-Dichloro-o-anisic acid|Benzoic acid, 3,6-dichloro-2-methoxy-|Velsicol compound R|Velsicol Compound ''R''|3,6-Dichloor-2-methoxy-benzoeizuur [Dutch]|DICAMBA, [RING-14C(U)]|2-methoxy-3,6-dichloro-benzoic acid|Mais Banvel WG|Dicamba-[13C6]|Kyselina 3,6-dichlor-2-methoxybenzoova|3,6-Dichloor-2-methoxy-benzoeizuur|dicamba|o-Anisic acid, 3,6-dichloro-|Banvel D (Salt/Mix)|Acido (3,6-dicloro-2-metossi)-benzoico|Banvel 4S (Salt/Mix)|Velsicol 58CS11|Velsicol 58-CS-11|Celebrity B|DICAMBA [HSDB]|3,6-Dichloro-2-methoxybenzoic acid|3,6-dichloro-2-methoxy-benzoic acid|Dicamba [ISO]|3,6-Dichlor-3-methoxy-benzoesaeure [German]|Kyselina 3,6-dichlor-2-methoxybenzoova [Czech]|Acido (3,6-dicloro-2-metossi)-benzoico [Italian]|Banlen|DICAMBA [MI]|Banex (Salt/Mix)|Compound B [Velsicol]|Fallow master (Salt/Mix)

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Dicamba is a chlorinate methoxy benzoic acid herbicide that increases plant growth rates such that the plant grows faster than it can replenish its nutrient supply
Dicamba (3,6-dichloro-2-methoxybenzoic acid) is an organochlorine compound with plant growth auxin characteristics. Dicamba is used as a herbicide.

Spécifications

Synonymes

2,5-Dichloro-6-methoxybenzoic acid | 3,6-Dichlor-3-methoxy-benzoesaeure | Banvel 200 (Salt/Mix) | Mdba | Banvel 70WP | Banvel SGF | Brush buster | Compound B dicamba | Banvel herbicide | Dianat [Russian] | Banvel | Dicamba [ANSI:BSI:ISO] | Banvel CST | Banvel 480 | Banvel II herbicide | 3,6-Dichloro-2-methoxy-d3-benzoic Acid | Dianat | Av Afficher plus

Spécifications et pureté

analytical standard, ≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504750627

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750627

Sourires canoniques

COC1=C(C=CC(=C1C(=O)O)Cl)Cl

IUPAC Name

3,6-dichloro-2-methoxybenzoic acid

InChIKey

IWEDIXLBFLAXBO-UHFFFAOYSA-N

INCHI

1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)

Isomères SMILES

COC1=C(C=CC(=C1C(=O)O)Cl)Cl

WGK Allemagne

2

RTECS

DG7525000

Numéro ONU

1230

Groupe d'emballage

II

Poids moléculaire

221.04

Beilstein

2453039

Reaxy-Rn

2453039

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2453039&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 O-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: O-methoxybenzoic acids and derivatives
• Alternative Parents: Dichlorobenzoic acids 2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Anisoles Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2,5-dichlorobenzoic acid - O-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Benzoic acid - Phenoxy compound - 1,4-dichlorobenzene - Benzoyl - Anisole - Phenol ether - 1-carboxy-2-haloaromatic compound - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
• External Descriptors: Benzoic acid 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): ~326.1 °C
• Point de fusion (°C): 112-116°C
• Poids moléculaire: 221.030 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.969 Da
• Monoisotopic Mass: 219.969 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• 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