2-Bromo-1,1-dimethoxypropane - ≥95% , CAS No.33170-72-8

CAS: 33170-72-8 Cat. No.: B183758 分子式: C₅H₁₁BrO₂ 分子量: 183.04 EC番号: 980-840-0

GRADE & PURITY ≥95%

Synonyms

Propane, 2-bromo-1,1-dimethoxy- | AS-17971 | J-508167 | A924342 | bromopropionaldehyde dimethyl acetal | FT-0685624 | 2-Bromo-1,1-dimethoxypropane | 2-Bromo-1,1-dimethoxy-propane | DTXSID50485181 | HFTQXLCZRCQAAX-UHFFFAOYSA-N | AB64104 | MFCD11505877 | SY

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

Propane, 2-bromo-1,1-dimethoxy- | AS-17971 | J-508167 | A924342 | bromopropionaldehyde dimethyl acetal | FT-0685624 | 2-Bromo-1,1-dimethoxypropane | 2-Bromo-1,1-dimethoxy-propane | DTXSID50485181 | HFTQXLCZRCQAAX-UHFFFAOYSA-N | AB64104 | MFCD11505877 | SY

仕様と純度

≥95%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

504767041

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504767041

カノニカル・スマイル

CC(C(OC)OC)Br

IUPAC Name

2-bromo-1,1-dimethoxypropane

InChIKey

HFTQXLCZRCQAAX-UHFFFAOYSA-N

INCHI

1S/C5H11BrO2/c1-4(6)5(7-2)8-3/h4-5H,1-3H3

異性体SMILES

CC(C(OC)OC)Br

分子量

183.04

Reaxy-Rn

1697636

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697636&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 分子量: 183.040 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.994 Da
• Monoisotopic Mass: 181.994 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 33170-72-8, the molecular formula is C5H11BrO2, and the molecular weight is 183.04 g/mol. InChIKey HFTQXLCZRCQAAX-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.