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1,3,2Lambda6-benzodioxathiole-2,2-dione - ≥97% , CAS No.4074-55-9
주문 가능
GRADE & PURITY ≥97%
Storage
Room temperature
Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
사양 및 순도
≥97%
보관 조건
Room temperature
순수함
≥97%
이름과 식별자
| 정식 스마일 | C1=CC=C2C(=C1)OS(=O)(=O)O2 |
|---|---|
| IUPAC Name | 1,3,2lambda6-benzodioxathiole 2,2-dioxide |
| InChIKey | ORZMSMCZBZARKY-UHFFFAOYSA-N |
| INCHI | 1S/C6H4O4S/c7-11(8)9-5-3-1-2-4-6(5)10-11/h1-4H |
| 분자량 | 172.16 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic acids and derivatives
- 분류 Organic sulfuric acids and derivatives
- Subclass Arylsulfates
- 분류 Organic sulfuric acids and derivatives
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| 분류 | Organic sulfuric acids and derivatives |
| Subclass | Arylsulfates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Arylsulfates |
| Alternative Parents | Sulfuric acid diesters Benzenoids Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Arylsulfate - Sulfuric acid diester - Benzenoid - Sulfuric acid ester - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether group. |
| External Descriptors | Not available |
3D 구조
상호 작용 화학 구조 모델
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
| 분자량 | 172.160 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 171.983 Da |
| Monoisotopic Mass | 171.983 Da |
| Topological Polar Surface Area | 61.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 220.000 |
| 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 |
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