3-Nitrophenylacetylene - ≥98% , CAS No.3034-94-4

CAS: 3034-94-4 Cat. No.: N303382 Formula: C₈H₅NO₂ Peso molecolare: 147.13 Numero EC: 221-232-0

GRADE & PURITY ≥98%

Synonyms

AB11482 | A876216 | EINECS 221-232-0 | J-504618 | SCHEMBL1477030 | 3-Nitrophenylacetylene | 3-nitrophenylacetylene' | DTXSID9062807 | AKOS005257078 | STL554957 | FT-0649306 | MFCD02181150 | (3R)-METHYL-PYRROLIDINEHYDROCHLORIDE | GS-4365 | JOUOQPWPDONKKS-U

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AB11482 | A876216 | EINECS 221-232-0 | J-504618 | SCHEMBL1477030 | 3-Nitrophenylacetylene | 3-nitrophenylacetylene' | DTXSID9062807 | AKOS005257078 | STL554957 | FT-0649306 | MFCD02181150 | (3R)-METHYL-PYRROLIDINEHYDROCHLORIDE | GS-4365 | JOUOQPWPDONKKS-U

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488185265

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185265

Sorrisi canonici

C#CC1=CC(=CC=C1)[N+](=O)[O-]

IUPAC Name

1-ethynyl-3-nitrobenzene

InChIKey

JOUOQPWPDONKKS-UHFFFAOYSA-N

INCHI

1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H

Isomeri SMILES

C#CC1=CC(=CC=C1)[N+](=O)[O-]

Peso molecolare

147.13

Reaxy-Rn

2043247

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043247&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Acetylide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.59
• Punto di infiammabilità (°C): 106 °C
• Punto di ebollizione (°C): 120 °C/11 mmHg
• Peso molecolare: 147.130 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.032 Da
• Monoisotopic Mass: 147.032 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 198.000
• 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

Domande frequenti

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 3034-94-4, the molecular formula is C8H5NO2, and the molecular weight is 147.13 g/mol. InChIKey JOUOQPWPDONKKS-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.