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2,5-Bis(bromomethyl)-1-methoxy-4-(3′,7′-dimethyloctyloxy)benzene - 96%, high purity , CAS No.287919-00-0
Basic Description
Synonyms
2,5-Bis(bromomethyl)-1-methoxy-4-(3',7'-dimethyloctyloxy)benzene, 96% | DTXSID80399883 | 2 5-BIS(BROMOMETHYL)-1-METHOXY-4-(3'-7'& | 2 5-BIS(BROMOMETHYL)-1-METHOXY-4-(3-7& | 1,4-bis(bromomethyl)-2-(3,7-dimethyloctoxy)-5-methoxybenzene | 2,5-Bis(bromomethyl
Specifications & Purity
≥96%
Product Description
Application
Conducting polymer precursor for synthesis of substituted PPV.
Taxonomic Classification
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 Methoxybenzenes Anisoles Alkyl aryl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Methoxybenzene - Benzyl bromide - Phenol ether - Anisole - 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
Data sources
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.
Names and Identifiers
IUPAC Name
1,4-bis(bromomethyl)-2-(3,7-dimethyloctoxy)-5-methoxybenzene
INCHI
InChI=1S/C19H30Br2O2/c1-14(2)6-5-7-15(3)8-9-23-19-11-16(12-20)18(22-4)10-17(19)13-21/h10-11,14-15H,5-9,12-13H2,1-4H3
InChIKey
DOKSAXJBKYCNRE-UHFFFAOYSA-N
Smiles
CC(C)CCCC(C)CCOC1=CC(=C(C=C1CBr)OC)CBr
Isomeric SMILES
CC(C)CCCC(C)CCOC1=CC(=C(C=C1CBr)OC)CBr
Reaxy-Rn
48171350
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48171350&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
450.200 g/mol
XLogP3
7.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
11
Exact Mass
450.059 Da
Monoisotopic Mass
448.061 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
299.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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