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2-Benzyloxy-4-bromotoluene - 98%, high purity , CAS No.1114808-93-3

COA

Grade & Purity:

≥98%

Cas Number: 1114808-93-3
Molecular Weight: 277.2
PubChem CID: 50936792

In stock

Item Number

B179432

Grouped product items
SKU	Size	Availability	Price	Qty
B179432-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90

Basic Description

Synonyms	1114808-93-3 \| 2-(Benzyloxy)-4-bromo-1-methylbenzene \| 2-BENZYLOXY-4-BROMOTOLUENE \| 1-Benzyloxy-5-bromo-2-methylbenzene \| 4-bromo-1-methyl-2-phenylmethoxybenzene \| SCHEMBL15197125 \| NZTWVEOFPMJZJK-UHFFFAOYSA- \| DTXSID90678994 \| NZTWVEOFPMJZJK-UHFFFAOYSA-N \| MFCD11520656 \| AK
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Toluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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-methyl-2-phenylmethoxybenzene
INCHI	InChI=1S/C14H13BrO/c1-11-7-8-13(15)9-14(11)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey	NZTWVEOFPMJZJK-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)Br)OCC2=CC=CC=C2
Isomeric SMILES	CC1=C(C=C(C=C1)Br)OCC2=CC=CC=C2
Molecular Weight	277.2
Reaxy-Rn	23208360
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23208360&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	277.160 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	276.015 Da
Monoisotopic Mass	276.015 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	201.000
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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