3,3'-Diamino-[1,1'-biphenyl]-4,4'-diol - ≥97%(HPLC)(T) , CAS No.4194-40-5

CAS: 4194-40-5 Cat. No.: D770969 Molecular Weight: 216.24 EC Number: 889-169-7
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GRADE & PURITY ≥97%(HPLC)(T)
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
5g
D770969-5g
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Why this grade

≥97%(HPLC)(T) 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

Specifications & Purity
≥97%(HPLC)(T)
Storage
Room temperature
Shipped In
Normal
Purity
≥97%(HPLC)(T)
Names and Identifiers
Canonical SmilesC1=CC(=C(C=C1C2=CC(=C(C=C2)O)N)N)O
InChIKeyKZLDGFZCFRXUIB-UHFFFAOYSA-N
INCHI1S/C12H12N2O2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2
Isomeric SMILES C1=CC(=C(C=C1C2=CC(=C(C=C2)O)N)N)O
Molecular Weight 216.24

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

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBiphenols
Intermediate Tree Nodes Not available
Direct ParentBiphenols
Alternative Parents Biphenyls and derivatives  o-Aminophenols  Aniline and substituted anilines  1-hydroxy-2-unsubstituted benzenoids  Primary amines  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Biphenol - Biphenyl - Aminophenol - O-aminophenol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as biphenols. These are organic compounds containing two phenol groups linked together by a C-C bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight216.240 g/mol
XLogP31.500
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.09 Da
Monoisotopic Mass216.09 Da
Topological Polar Surface Area92.500 Ų
Heavy Atom Count16
Formal Charge0
Complexity213.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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