도데실 2-니트로페닐 에테르 - ≥97% , CAS No.83027-71-8

CAS: 83027-71-8 Cat. No.: D343880 분자식: C₁₈H₂₉NO₃ 분자량: 307.43

GRADE & PURITY ≥97%

Synonyms

MFCD00024221 | 1-dodecoxy-2-nitrobenzene | AKOS024319104 | o-nitrophenyl dodecyl ether | Dodecyl 2-nitrophenyl ether, Selectophore(TM), >=99.0% | AS-75567 | SCHEMBL2304857 | ETH 217 | 1-(Dodecyloxy)-2-nitrobenzene # | 1-(Dodecyloxy)-2-nitrobenzene | Dodec

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

개요

이온 선택적 전극의 용매 고분자막용 가소제 (1), (2)

Specifications

동의어

MFCD00024221 | 1-dodecoxy-2-nitrobenzene | AKOS024319104 | o-nitrophenyl dodecyl ether | Dodecyl 2-nitrophenyl ether, Selectophore(TM), >=99.0% | AS-75567 | SCHEMBL2304857 | ETH 217 | 1-(Dodecyloxy)-2-nitrobenzene # | 1-(Dodecyloxy)-2-nitrobenzene | Dodec

사양 및 순도

≥97%

애플리케이션

It was used to enhance extraction of nonpolar drugs during a study to demonstrate different approaches of basic drugs to maximize extraction recovery using electro membrane extraction method.

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥97%

이름과 식별자

Pubchem Sid

528770224

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528770224

정식 스마일

CCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

IUPAC Name

1-dodecoxy-2-nitrobenzene

InChIKey

DXCTUMLYTQODSP-UHFFFAOYSA-N

INCHI

1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-13-16-22-18-15-12-11-14-17(18)19(20)21/h11-12,14-15H,2-10,13,16H2,1H3

이성체 SMILES

CCCCCCCCCCCCOC1=CC=CC=C1[N+](=O)[O-]

분자량

307.43

Reaxy-Rn

3350321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3350321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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

• 특정 회전[α]: n20/D 1.503
• 끓는점(°C): 218° C at 1.5 mmHg
• 분자량: 307.400 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 307.215 Da
• Monoisotopic Mass: 307.215 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 278.000
• 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