1-Bromotridecane - ≥98%(GC) , CAS No.765-09-3

CAS: 765-09-3 Cat. No.: B152586 Formule: C₁₃H₂₇Br Poids moléculaire: 263.26 Beilstein Registry Number: 1739990 Numéro CE: 212-138-0

GRADE & PURITY ≥98%(GC)

Synonyms

FT-0607550 | Tox21_202870 | H10622 | 1-Bromotridecane, 98% | n-Tridecyl-1-bromide | SCHEMBL584962 | tridecylbromide | EINECS 212-138-0 | B0935 | GS-6322 | Tridecane, 1-bromo- | WLN: E13 | CAS-765-09-3 | MFCD00000227 | 1-Bromotridecane | 1-bromo-tridecane

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

FT-0607550 | Tox21_202870 | H10622 | 1-Bromotridecane, 98% | n-Tridecyl-1-bromide | SCHEMBL584962 | tridecylbromide | EINECS 212-138-0 | B0935 | GS-6322 | Tridecane, 1-bromo- | WLN: E13 | CAS-765-09-3 | MFCD00000227 | 1-Bromotridecane | 1-bromo-tridecane

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504752413

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752413

Sourires canoniques

CCCCCCCCCCCCCBr

IUPAC Name

1-bromotridecane

InChIKey

BFDNZQUBFCYTIC-UHFFFAOYSA-N

INCHI

1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3

Isomères SMILES

CCCCCCCCCCCCCBr

WGK Allemagne

3

RTECS

YD3100000

Poids moléculaire

263.26

Beilstein

1739990

Reaxy-Rn

1739992

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739992&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

• Sensibilité: Light sensitive
• Indice de réfraction: 1.46
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point d'ébullition (°C): 148-150°C/10mmHg
• Point de fusion (°C): 4-7 °C
• Poids moléculaire: 263.260 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 11
• Exact Mass: 262.13 Da
• Monoisotopic Mass: 262.13 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 91.200
• 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