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1-Bromo-3，5，7-trimethyladamantane - ≥95%, high purity , CAS No.53398-55-3

COA

Grade & Purity:

≥95%

Cas Number: 53398-55-3
Molecular Weight: 257.22
PubChem CID: 429253

In stock

Item Number

B697677

Grouped product items
SKU	Size	Availability	Price
B697677-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$384.90
B697677-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$572.90
B697677-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,690.90

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

Names and Identifiers

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

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

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

Analytical Chart:

Chemical and Physical Properties

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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