1-Bromopentane - CP, ≥98% , CAS No.110-53-2

CAS: 110-53-2 Cat. No.: B104782 Molecular Weight: 151.04 Beilstein Registry Number: 1730981 EC Number: 203-776-0

GRADE & PURITY CP, ≥98%

Synonyms

UNII-Z2S4R599P0 | 1-bromo pentane | 1-Bromopentane, purum, >=98.5% (GC) | pentylbromide | amylbromide | Tox21_202717 | bromomethylbutane | NSC7895 | NSC-7895 | Pentane, bromo- | 1-BroMopentane--d4 | brompentane | EC 203-776-0 | AKOS000118764 | Amyl bromid

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

UNII-Z2S4R599P0 | 1-bromo pentane | 1-Bromopentane, purum, >=98.5% (GC) | pentylbromide | amylbromide | Tox21_202717 | bromomethylbutane | NSC7895 | NSC-7895 | Pentane, bromo- | 1-BroMopentane--d4 | brompentane | EC 203-776-0 | AKOS000118764 | Amyl bromid

Specifications & Purity

CP, ≥98%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

CP

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180672
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180672
• Canonical Smiles: CCCCCBr
• IUPAC Name: 1-bromopentane
• InChIKey: YZWKKMVJZFACSU-UHFFFAOYSA-N
• INCHI: 1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
• Isomeric SMILES: CCCCCBr
• WGK Germany: 2
• RTECS: RZ9770000
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 151.04
• Beilstein: 1730981
• Reaxy-Rn: 1730981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in most organic solvents such as ethanol and ether.
• Sensitivity: Light sensitive.
• Refractive Index: 1.444
• Flash Point(°F): 89.6 °F
• Flash Point(°C): 32 °C
• Boil Point(°C): 130 °C
• Melt Point(°C): -95 °C
• Molecular Weight: 151.040 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 150.004 Da
• Monoisotopic Mass: 150.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 19.900
• 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

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