Benfuracarb solution - analytical standard, 10μg/ml in acetone,u=4% , CAS No.82560-54-1

CAS: 82560-54-1 Cat. No.: B114496 Summenformel: C₂₀H₃₀N₂O₅S Molekulargewicht: 410.53 EG-Nummer: 617-356-3

GRADE & PURITY Analytical standard, 10μg/ml in acetone,u=4%

Synonyms

Benfuracarb|82560-54-1|Aminofuracarb|Furacon|Oncol|OC-11588|CHEBI:3014|DTXSID2041622|807671FRZY|8-Oxa-3-thia-2,4-diazadecanoic acid, 2-methyl-4-(1-methylethyl)-7-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester|Oncol 5G|Caswell No. 349C|Aminosulfulan;

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

Benfuracarb | 82560-54-1 | Aminofuracarb | Furacon | Oncol | OC-11588 | CHEBI:3014 | DTXSID2041622 | 807671FRZY | 8-Oxa-3-thia-2,4-diazadecanoic acid, 2-methyl-4-(1-methylethyl)-7-oxo-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester | Oncol 5G | Caswell No. 349C | Aminosulfulan;

Spezifikationen & Reinheit

analytical standard, 10μg/ml in acetone,u=4%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528769237

Kanonisches Lächeln

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

IUPAC Name

ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate

InChIKey

FYZBOYWSHKHDMT-UHFFFAOYSA-N

INCHI

1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3

Isomere SMILES

CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C

WGK Deutschland

3

RTECS

AY5088000

UN-Nummer

2810

Molekulargewicht

410.53

Reaxy-Rn

8347990

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8347990&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Coumarans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarans
• Alternative Parents: Alkyl aryl ethers Benzenoids Organic carbonic acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Alkyl aryl ether - Benzenoid - Carboxylic acid ester - Carbonic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
• External Descriptors: Carbamate insecticides

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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Cheumatopsyche (45 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Flammpunkt (°F): >100 °C
• Flammpunkt (°C): >100°C
• Molekulargewicht: 410.500 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 410.188 Da
• Monoisotopic Mass: 410.188 Da
• Topological Polar Surface Area: 93.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 543.000
• 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