3-Bromoheptane - ≥93%(GC) , CAS No.1974-05-6

CAS: 1974-05-6 Cat. No.: B152441 Formule: C₇H₁₅Br Poids moléculaire: 179.1 Numéro CE: 217-825-9

QUALITÉ & PURETÉ ≥93%(GC)

Synonyms

3-BROMOHEPTANE | D88770 | SCHEMBL1003367 | Phenylmethyl[S-(R,S)]-[1-oxiranyl-2-(phenylthio)ethyl]carbamate | Heptane, 3-bromo- | DTXSID70883786 | LS-13355 | AKOS009157924 | B1234 | FT-0615223 | MFCD00039184 | 3-Heptyl Bromide | EINECS 217-825-9

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

3-BROMOHEPTANE | D88770 | SCHEMBL1003367 | Phenylmethyl[S-(R,S)]-[1-oxiranyl-2-(phenylthio)ethyl]carbamate | Heptane, 3-bromo- | DTXSID70883786 | LS-13355 | AKOS009157924 | B1234 | FT-0615223 | MFCD00039184 | 3-Heptyl Bromide | EINECS 217-825-9

Spécifications et pureté

≥93%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥93%(GC)

Noms et identifiants

Pubchem Sid

504752731

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752731

Sourires canoniques

CCCCC(CC)Br

IUPAC Name

3-bromoheptane

InChIKey

MLHXKYLLJRLHGH-UHFFFAOYSA-N

INCHI

1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3

Isomères SMILES

CCCCC(CC)Br

Poids moléculaire

179.1

Reaxy-Rn

1719072

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719072&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.451
• Point d'éclair (°C): 48 °C
• Point d'ébullition (°C): 140°C
• Poids moléculaire: 179.100 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 178.036 Da
• Monoisotopic Mass: 178.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 43.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥93% purity, determined by gas chromatography (GC). 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 1974-05-6, the molecular formula is C7H15Br, and the molecular weight is 179.1 g/mol. InChIKey MLHXKYLLJRLHGH-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.