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4-Bromo-1,1-dimethoxybutane - ≥95%, high purity , CAS No.24157-02-6

COA

Grade & Purity:

≥95%

Cas Number: 24157-02-6
Molecular Weight: 197.08
MDL number: MFCD02262158
PubChem CID: 10420225

In stock

Item Number

B767510

Grouped product items
SKU	Size	Availability	Price	Qty
B767510-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$479.90
B767510-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,529.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Acetals
Alternative Parents	Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acetal - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
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	4-bromo-1,1-dimethoxybutane
INCHI	InChI=1S/C6H13BrO2/c1-8-6(9-2)4-3-5-7/h6H,3-5H2,1-2H3
InChIKey	QPNPLSCMVPQSEZ-UHFFFAOYSA-N
Smiles	COC(CCCBr)OC
Isomeric SMILES	COC(CCCBr)OC
Molecular Weight	197.08

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	186.9°C at 760 mmHg
Molecular Weight	197.070 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	196.01 Da
Monoisotopic Mass	196.01 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	55.000
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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