4-Bromoheptane - ≥97% , CAS No.998-93-6

CAS: 998-93-6 Cat. No.: B301016 Formula: C₇H₁₅Br Peso molecolare: 179.1 Numero EC: 213-653-3

QUALITÀ & PUREZZA ≥97%

Synonyms

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifiche

Sinonimi

EINECS 213-653-3 | 4-bromo-heptan | 4-Bromoheptane, AldrichCPR | MFCD00039182 | SY016752 | AKOS005216031 | BS-23227 | DTXSID5061374 | FT-0617891 | SCHEMBL1001541 | 4-Bromoheptane | 4-bromo-heptane | Heptane, 4-bromo- | EN300-1914586

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CCCC(CCC)Br

IUPAC Name

4-bromoheptane

InChIKey

BNUTXEKPXPZAIT-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CCCC(CCC)Br

Peso molecolare

179.1

Reaxy-Rn

1697144

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697144&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Miscible with carbon tetrachloride, chloroform and benzene. Immiscible with water.
• Punto di infiammabilità (°C): 40°C
• Punto di ebollizione (°C): 60-62°/18mmHg
• Peso molecolare: 179.100 g/mol
• XLogP3: 3.600
• 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: 37.700
• 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