(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl - ≥98% , CAS No.75714-60-2

Name: (S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl - ≥98% , CAS No.75714-60-2
Brand: Aladdin Scientific
SKU: D121040
Availability: InStock

CAS: 75714-60-2 Cat. No.: D121040 Molecular Weight: 472.18 Beilstein Registry Number: 4712473 EC Number: 694-532-6

COA

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(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl - ≥98% CAS No(75714-60-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

D2801 | SCHEMBL3263989 | (S)-3, 3'-Dibromo-2, 2'-dimethoxy-1, 1'-binaphthalene | NCI60_034744 | (S)-3, 3'-Dibromo-2, 2'-dimethoxy-1, 1'-binaphthyl | (S)-3, 3 inverted exclamation mark -Dibromo-2, 2 inverted exclamation mark -dimethoxy-1, 1 inverted exclamation mar

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid	488189676
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189676
Canonical Smiles	COC1=C(C2=CC=CC=C2C=C1Br)C3=C(C(=CC4=CC=CC=C43)Br)OC
IUPAC Name	3-bromo-1-(3-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
InChIKey	DFTUKDIMHCCQIT-UHFFFAOYSA-N
INCHI	1S/C22H16Br2O2/c1-25-21-17(23)11-13-7-3-5-9-15(13)19(21)20-16-10-6-4-8-14(16)12-18(24)22(20)26-2/h3-12H,1-2H3
Isomeric SMILES	COC1=C(C2=CC=CC=C2C=C1Br)C3=C(C(=CC4=CC=CC=C43)Br)OC
Molecular Weight	472.18
Beilstein	4712473
Reaxy-Rn	4712471
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4712471&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Biphenyls and derivatives
      - Level5 Brominated biphenyls
        Level6 Polybrominated biphenyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Brominated biphenyls
Direct Parent	Polybrominated biphenyls
Alternative Parents	Naphthalenes Anisoles Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Polybrominated biphenyl - Naphthalene - Anisole - Alkyl aryl ether - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by 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

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
K2218194	Certificate of Analysis	May 20, 2026	D121040
K2218195	Certificate of Analysis	May 09, 2026	D121040
K2218196	Certificate of Analysis	May 09, 2026	D121040

Solubility	Slightly soluble in Chloroform
Molecular Weight	472.200 g/mol
XLogP3	7.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	471.95 Da
Monoisotopic Mass	469.952 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	431.000
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