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Benzene， 1-(bromomethyl)-4-(1，1-dimethylethoxy)- - ≥95%, high purity , CAS No.76175-06-9

COA

Grade & Purity:

≥95%

Cas Number: 76175-06-9
Molecular Weight: 243.1402
MDL number: MFCD04115564
PubChem CID: 20035426

In stock

Item Number

B769385

Grouped product items
SKU	Size	Availability	Price	Qty
B769385-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,080.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyl halides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Phenoxy compounds Phenol ethers Alkyl aryl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzyl bromide - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
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

INCHI	InChI=1S/C11H15BrO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKey	LRRZLPXRRBMEPN-UHFFFAOYSA-N
Smiles	CC(C)(C)OC1=CC=C(C=C1)CBr
Isomeric SMILES	CC(C)(C)OC1=CC=C(C=C1)CBr
Molecular Weight	243.1402

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	243.140 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	242.031 Da
Monoisotopic Mass	242.031 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	143.000
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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