1-(2-Bromoethoxy)-3-nitrobenzene - ≥98% , CAS No.13831-59-9

CAS: 13831-59-9 Cat. No.: B181380 Summenformel: C₈H₈BrNO₃ Molekulargewicht: 246.1 EG-Nummer: 969-392-7

GRADE & PURITY ≥98%

Synonyms

QBUSKXLDUNPEMZ-UHFFFAOYSA-N | FT-0680170 | Benzene,1-(2-bromoethoxy)-3-nitro- | EN300-40886 | 1W-0640 | 1-(2-bromoethoxy)-3-nitrobenzene | DTXSID10296694 | MFCD07783648 | Z285922252 | W-205514 | SCHEMBL1025947 | NSC111064 | NSC-111064 | AKOS000169211 | Be

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

QBUSKXLDUNPEMZ-UHFFFAOYSA-N | FT-0680170 | Benzene,1-(2-bromoethoxy)-3-nitro- | EN300-40886 | 1W-0640 | 1-(2-bromoethoxy)-3-nitrobenzene | DTXSID10296694 | MFCD07783648 | Z285922252 | W-205514 | SCHEMBL1025947 | NSC111064 | NSC-111064 | AKOS000169211 | Be

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

1-(2-bromoethoxy)-3-nitrobenzene

InChIKey

QBUSKXLDUNPEMZ-UHFFFAOYSA-N

INCHI

1S/C8H8BrNO3/c9-4-5-13-8-3-1-2-7(6-8)10(11)12/h1-3,6H,4-5H2

Isomere SMILES

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

Molekulargewicht

246.1

Reaxy-Rn

1872005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872005&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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 Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• 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 - Organobromide - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 246.060 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.969 Da
• Monoisotopic Mass: 244.969 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% 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 13831-59-9, the molecular formula is C8H8BrNO3, and the molecular weight is 246.1 g/mol. InChIKey QBUSKXLDUNPEMZ-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.