Canonical Smiles	C(CBr)C(C(C(F)(F)F)(F)F)(F)F
IUPAC Name	5-bromo-1,1,1,2,2,3,3-heptafluoropentane
InChIKey	GFUYTQGIFLALGN-UHFFFAOYSA-N
INCHI	1S/C5H4BrF7/c6-2-1-3(7,8)4(9,10)5(11,12)13/h1-2H2
Isomeric SMILES	C(CBr)C(C(C(F)(F)F)(F)F)(F)F
PubChem CID	20029291
Molecular Weight	276.98

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Organofluorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Organofluorides
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Organofluorides
Alternative Parents	Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
External Descriptors	Not available
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	276.980 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	275.938 Da
Monoisotopic Mass	275.938 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	172.000
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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