Dibenzo[b,e][1,4]dioxine - ≥99% , CAS No.262-12-4

CAS: 262-12-4 Cat. No.: D154544 분자식: C₁₂H₈O₂ 분자량: 184.19 Beilstein Registry Number: 19(5)2,38 EC 번호: 205-974-2

GRADE & PURITY ≥99%

Synonyms

Dibenzodioxin | HMS1607L05 | dibenzo-p-dioxane | MFCD00022282 | C07732 | Dibenzo(1,4)dioxin | CCRIS 211 | NCI-C03656 | dibenzo[b,e]dioxin | InChI=1/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8 | Dibenzo-para-dioxin | AKOS000567042 | Dibenzo(b,e)

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Dibenzodioxin | HMS1607L05 | dibenzo-p-dioxane | MFCD00022282 | C07732 | Dibenzo(1,4)dioxin | CCRIS 211 | NCI-C03656 | dibenzo[b,e]dioxin | InChI=1/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8 | Dibenzo-para-dioxin | AKOS000567042 | Dibenzo(b,e)

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

• Pubchem Sid: 488180943
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180943
• 정식 스마일: C1=CC=C2C(=C1)OC3=CC=CC=C3O2
• IUPAC Name: dibenzo-p-dioxin
• InChIKey: NFBOHOGPQUYFRF-UHFFFAOYSA-N
• INCHI: 1S/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
• 이성체 SMILES: C1=CC=C2C(=C1)OC3=CC=CC=C3O2
• RTECS: HP3090000
• UN 번호: 3077
• 포장 그룹: III
• 분자량: 184.19
• Beilstein: 19(5)2,38
• Reaxy-Rn: 143227
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143227&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzodioxins
      • Subclass Benzo-p-dioxins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzodioxins
• Subclass: Benzo-p-dioxins
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzo-p-dioxins
• Alternative Parents: Diarylethers Benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzo-p-dioxin - Diaryl ether - Benzenoid - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as dibenzo-p-dioxins. These are compounds containing a dibenzo-p-dioxin moiety, which consists of two benzene connected by a para-dioxin ring.
• External Descriptors: a small molecule

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

화학 및 물리적 특성

• 녹는점(°C): 120 °C
• 분자량: 184.190 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 184.052 Da
• Monoisotopic Mass: 184.052 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 162.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 262-12-4, the molecular formula is C12H8O2, and the molecular weight is 184.19 g/mol. InChIKey NFBOHOGPQUYFRF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.