Canonical Smiles	CC12CC3(CC(C1)(CC(C2)(C3)Br)C)C
IUPAC Name	1-bromo-3,5,7-trimethyladamantane
InChIKey	DUNJTZWVWZSEKK-UHFFFAOYSA-N
INCHI	1S/C13H21Br/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9H2,1-3H3
Isomeric SMILES	CC12CC3(CC(C1)(CC(C2)(C3)Br)C)C
PubChem CID	429253
Molecular Weight	257.22

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

Quick-reference summary of product specifications and applications.

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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 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 homopolycyclic compounds
Substituents	Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homopolycyclic 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
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:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
J2514260	Certificate of Analysis	Aug 07, 2025	B697677
J2514313	Certificate of Analysis	Aug 07, 2025	B697677
J2514314	Certificate of Analysis	Aug 07, 2025	B697677

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	257.209 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	256.083 Da
Monoisotopic Mass	256.083 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	234.000
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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