sec-Butyl bromide - CP , CAS No.78-76-2

CAS: 78-76-2 Cat. No.: B109117 Summenformel: C₄H₉Br Molekulargewicht: 137.02 Beilstein Registry Number: 505949 EG-Nummer: 201-140-7

GRADE & PURITY CP

Synonyms

NSC 8417 | 2-Bromo butane | EINECS 201-140-7 | 2-Bromobutane | DTXCID201499 | J-802068 | SEC-BUTYL BROMIDE, (+/-)- | 2-Bromobutane, purum, >=98.0% (GC) | Methylethylbromomethane | NCGC00258187-01 | Butane, 2-bromo- | AKOS009157105 | 2-Bromobutane sec-Buty

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

NSC 8417 | 2-Bromo butane | EINECS 201-140-7 | 2-Bromobutane | DTXCID201499 | J-802068 | SEC-BUTYL BROMIDE, (+/-)- | 2-Bromobutane, purum, >=98.0% (GC) | Methylethylbromomethane | NCGC00258187-01 | Butane, 2-bromo- | AKOS009157105 | 2-Bromobutane sec-Buty

Spezifikationen & Reinheit

CP

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

CP

Namen und Kennungen

• Pubchem Sid: 488180093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180093
• Kanonisches Lächeln: CCC(C)Br
• IUPAC Name: 2-bromobutane
• InChIKey: UPSXAPQYNGXVBF-UHFFFAOYSA-N
• INCHI: 1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
• Isomere SMILES: CCC(C)Br
• WGK Deutschland: 2
• RTECS: EJ6228000
• UN-Nummer: 2339
• Verpackungsgruppe: II
• Molekulargewicht: 137.02
• Beilstein: 505949
• Reaxy-Rn: 505949
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505949&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Methanol,Chloroform,Acetone,Ether
• Empfindlichkeit: Light Sensitive
• Brechungsindex: 1.4366
• Flammpunkt (°F): 21℃
• Flammpunkt (°C): 21℃
• Siedepunkt (°C): 91.2°C
• Schmelzpunkt (°C): -111.9°C
• Molekulargewicht: 137.020 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 135.989 Da
• Monoisotopic Mass: 135.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 19.600
• 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

Referenzen

1. Ting Xu, Zihan Xue, Xinhui Li, Miaomiao Zhang, Ruige Yang, Shangshang Qin, Yong Guo.  (2025)  Development of Membrane-Targeting Osthole Derivatives Containing Pyridinium Quaternary Ammonium Moieties with Potent Anti-Methicillin-Resistant Staphylococcus aureus Properties.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:40205941] [10.1021/acs.jmedchem.4c03167]

Häufig gestellte Fragen

What does CP mean?

CP is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. CP is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 78-76-2, the molecular formula is C4H9Br, and the molecular weight is 137.02 g/mol. InChIKey UPSXAPQYNGXVBF-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.