3,4,5-Trihydroxybenzaldehyde monohydrate - ≥97% , CAS No.207742-88-9

CAS: 207742-88-9 Cat. No.: T168487 Formule: (HO)3C6H2CHO·H2O Poids moléculaire: 172.14 Numéro CE: 626-905-6 PubChem CID: 16211737
DISPONIBLE À COMMANDE
GRADE & PURITY ≥97%
Synonyms
Benzaldehyde, 3,4,5-trihydroxy-, hydrate (1:1) | DTXSID90583473 | A2935 | SCHEMBL36578 | 2-(2-phenylaziridin-1-yl)ethanol | FT-0614152 | 3,4,5-Trihydroxybenzaldehyde monohydrate | 3,4,5-Trihydroxybenzaldehyde monohydrate, 98% | 3,4,5-Trihydroxybenzaldehyd
Storage
Argon charged,Room temperature
Shipped In
Normal
★
Size
Allemagne (EU)
USA*
Price
Qty
250mg
T168487-250mg
—
3 En stock

21,61€

32,89€
Enregistrer 11,28 € (34.30%)
1g
T168487-1g
—
4 En stock

78,88€

118,79€
Enregistrer 39,92 € (33.60%)
5g
T168487-5g
—
5 En stock

325,32€

488,45€
Enregistrer 163,13 € (33.40%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonymes
Benzaldehyde, 3,4,5-trihydroxy-, hydrate (1:1) | DTXSID90583473 | A2935 | SCHEMBL36578 | 2-(2-phenylaziridin-1-yl)ethanol | FT-0614152 | 3,4,5-Trihydroxybenzaldehyde monohydrate | 3,4,5-Trihydroxybenzaldehyde monohydrate, 98% | 3,4,5-Trihydroxybenzaldehyd
Spécifications et pureté
≥97%
Conditions de stockage de stockage
Argon charged,Room temperature
Expédié en
Normal
Pureté
≥97%
Noms et identifiants
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504768137
Sourires canoniques
C1=C(C=C(C(=C1O)O)O)C=O.O
IUPAC Name
3,4,5-trihydroxybenzaldehyde;hydrate
InChIKey
OSEOMYNJYKADOS-UHFFFAOYSA-N
INCHI
1S/C7H6O4.H2O/c8-3-4-1-5(9)7(11)6(10)2-4;/h1-3,9-11H;1H2
Isomères SMILES
C1=C(C=C(C(=C1O)O)O)C=O.O
WGK Allemagne
3
PubChem CID
16211737
Poids moléculaire
172.14

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassePhenols
SubclassBenzenetriols and derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrogallols and derivatives
Alternative Parents Hydroxybenzaldehydes  Benzoyl derivatives  1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Polyols  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Hydroxybenzaldehyde - Pyrogallol derivative - Benzoyl - Benzaldehyde - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrogallols and derivatives. These are compounds containing a 1,2,3-trihydroxybenzene moiety.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateArticle
C2018043Certificate of AnalysisJan 06, 2023 T168487
B2221018Certificate of AnalysisJan 05, 2022 T168487
B2221040Certificate of AnalysisJan 05, 2022 T168487
Propriétés chimiques et physiques
Sensibilitéair sensitive
Point de fusion (°C)218 °C
Poids moléculaire172.130 g/mol
XLogP3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass172.037 Da
Monoisotopic Mass172.037 Da
Topological Polar Surface Area78.800 Ų
Heavy Atom Count12
Formal Charge0
Complexity135.000
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 Count2
Calculateurs de solution
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