Diethyl 2-bromoethylphosphonate - ≥95% , CAS No.5324-30-1

CAS: 5324-30-1 Cat. No.: D109618 분자식: C₆H₁₄BrO₃P 분자량: 245.05 Beilstein Registry Number: 1766077 EC 번호: 226-193-3

GRADE & PURITY ≥95%

Synonyms

4-Pyridineethanamine,2-methoxy-(9CI) | DTXSID00201333 | Diethyl 2-bromoethylphosphonate | SY049497 | 2-Iminopiperidine (hydrochloride) | 1-bromo-2-diethoxyphosphorylethane | MFCD00000239 | FT-0624771 | BBL100179 | Diethyl 2-bromoethanephosphonate; 2-Bromo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

4-Pyridineethanamine,2-methoxy-(9CI) | DTXSID00201333 | Diethyl 2-bromoethylphosphonate | SY049497 | 2-Iminopiperidine (hydrochloride) | 1-bromo-2-diethoxyphosphorylethane | MFCD00000239 | FT-0624771 | BBL100179 | Diethyl 2-bromoethanephosphonate; 2-Bromo

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

508808369

정식 스마일

CCOP(=O)(CCBr)OCC

IUPAC Name

1-bromo-2-diethoxyphosphorylethane

InChIKey

PINITSMLVXAASM-UHFFFAOYSA-N

INCHI

1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3

이성체 SMILES

CCOP(=O)(CCBr)OCC

WGK 독일

3

분자량

245.05

Beilstein

1766077

Reaxy-Rn

1766077

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766077&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
• 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

화학 및 물리적 특성

• 감도: Air Sensitive
• 굴절률: 1.461
• 발화점(°F): 230 °F
• 발화점(°C): 110 °C
• 끓는점(°C): 75°C
• 분자량: 245.050 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 243.986 Da
• Monoisotopic Mass: 243.986 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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