Benfuracarb solution - analytical standard, 0.100 mg/ml in acetone , CAS No.82560-54-1

CAS: 82560-54-1 Cat. No.: B114494 분자식: C₂₀H₃₀N₂O₅S 분자량: 410.53 EC 번호: 617-356-3

GRADE & PURITY Analytical standard, 0.100 mg/ml in acetone

Synonyms

Aminofuracarb | FYZBOYWSHKHDMT-UHFFFAOYSA-N | DTXCID0021622 | NCGC00255617-01 | Oncol 5G | BENFURACARB [ISO] | Aminosulfulan; Benfuracarb; Nakar; OK 174; Oncol; Oncol 5G | 8-Oxa-3-thia-2,4-diazadecanoic acid, 2-methyl-4-(1-methylethyl)-7-oxo-, 2,3-dihydro

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

Aminofuracarb | FYZBOYWSHKHDMT-UHFFFAOYSA-N | DTXCID0021622 | NCGC00255617-01 | Oncol 5G | BENFURACARB [ISO] | Aminosulfulan; Benfuracarb; Nakar; OK 174; Oncol; Oncol 5G | 8-Oxa-3-thia-2,4-diazadecanoic acid, 2-methyl-4-(1-methylethyl)-7-oxo-, 2,3-dihydro

사양 및 순도

analytical standard, 0.100 mg/ml in acetone

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

분석 표준물질

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
• WGK 독일: 3
• RTECS: AY5088000
• UN 번호: 2810
• 분자량: 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
    • 분류 Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(비인간)

Cheumatopsyche (45 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 발화점(°F): >100 °C
• 발화점(°C): >100°C
• 분자량: 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

참고 문헌

1. Xu Jing, Huihui Wang, Xin Huang, Zhenjia Chen, Junling Zhu, Xiaowen Wang.  (2020)  Digital image colorimetry detection of carbaryl in food samples based on liquid phase microextraction coupled with a microfluidic thread-based analytical device.  FOOD CHEMISTRY,      [PMID:32916534] [10.1016/j.foodchem.2020.127971]