(3-Bromo-1-propynyl)benzene solution - ~75% in toluene , CAS No.1794-48-5

CAS: 1794-48-5 Cat. No.: B462970 Formula: C₉H₇Br Peso molecolare: 195.06 Numero EC: 683-347-6

GRADE & PURITY ~75% in toluene

Synonyms

RKNCIBMWPVZEAJ-UHFFFAOYSA-N | 1-phenyl-3-bromo-1-propyn | 1-phenyl-3-bromo-1-propyne | DTXSID00450849 | SCHEMBL1151193 | (3-Bromo-1-propyn-1-yl)-benzene | Benzene, (3-bromo-1-propyn-1-yl)- | (3-Bromo-1-propynyl)benzene | AKOS017516027 | (3-bromoprop-1-yn-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

RKNCIBMWPVZEAJ-UHFFFAOYSA-N | 1-phenyl-3-bromo-1-propyn | 1-phenyl-3-bromo-1-propyne | DTXSID00450849 | SCHEMBL1151193 | (3-Bromo-1-propyn-1-yl)-benzene | Benzene, (3-bromo-1-propyn-1-yl)- | (3-Bromo-1-propynyl)benzene | AKOS017516027 | (3-bromoprop-1-yn-

Specifiche e purezza

~75% in toluene

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)C#CCBr

IUPAC Name

3-bromoprop-1-ynylbenzene

InChIKey

RKNCIBMWPVZEAJ-UHFFFAOYSA-N

INCHI

1S/C9H7Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2

Isomeri SMILES

C1=CC=C(C=C1)C#CCBr

WGK Germania

3

Peso molecolare

195.06

Reaxy-Rn

878435

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878435&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Punto di infiammabilità (°F): 39.2 °F
• Punto di infiammabilità (°C): 4 °C
• Peso molecolare: 195.060 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 193.973 Da
• Monoisotopic Mass: 193.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 143.000
• 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

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 1794-48-5, the molecular formula is C9H7Br, and the molecular weight is 195.06 g/mol. InChIKey RKNCIBMWPVZEAJ-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.