(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol hydrate (1:1)

Basic Information

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CAS Number

7295-85-4

Molecular Formula

C15H16O7

Molecular Weight

308.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

White powder

Melting Point

~200 °C (dec.)

Boiling Point

630.4°Cat760mmHg

Density

1.593

Flash Point

335°C

Refractive Index

1.741

SMILES

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C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C15H14O6.H2O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-5,13,15-20H,6H2;1H2/t13-,15+;/m0./s1

InChIKey

OFUMQWOJBVNKLR-NQQJLSKUSA-N

LogP

0.7214000000000005

Topological Polar Surface Area

141.88 Å²

Hydrogen Bond Donor/Acceptor

7 / 7

Complexity

364

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SCHEMBL19411
AKOS016009549
NCGC00015215-06
SB18952
(+/-)-Catechin
BRD-A61899133-002-02-2
EpCt-pl
trans-3,3',4',5,7-Pentahydroxyflavane
Prestwick3_000817
(-)-3,5,7,3',4'-PENTAHYDROXYFLAVAN
Epicatechol, (-)-
SY066787
cis-(+/-)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
BSPBio_000713
D70844
(+)-Catechin;Cianidanol;Catechuic acid
CHEMBL206452
HMS1664H16
CS-0157109
EC (C)
(-)-cis-3,3',4',5,7-Pentahydroxyflavane
trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol
FT-0604384
NCGC00015215-04
CHEBI:23053
MFCD00075648
FT-0613995
BDBM50479045
NSC 81162
2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R,3S)-rel-
(-)-CATECHINHYDRATE

MDL Number

MFCD00135995

Customs Code

2932999099

FAQ

What is (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol hydrate (CAS: 7295-85-4)?

This compound is a hydrate of (2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-chromanetriol. It has the chemical formula C15H14O7•H2O. It is a white crystalline solid with a bitter taste and is used in various applications due to its structural complexity and functional groups.

What are the main uses of (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol hydrate (CAS: 7295-85-4)?

This compound is primarily used as an intermediate in the synthesis of other organic compounds, particularly in the pharmaceutical industry. It is also used in the preparation of natural product analogs and as a research reagent.

Is (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol hydrate (CAS: 7295-85-4) safe?

The compound is generally considered safe for industrial and experimental use. However, it is important to handle it with care, as it is toxic if ingested. Protective measures include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Follow all safety guidelines and adhere to local and international safety standards.

How should (2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol hydrate (CAS: 7295-85-4) be stored?

Store the compound in a cool, dry place, away from direct sunlight. Keep it in a well-sealed container to prevent moisture absorption. The optimal storage temperature is below 25°C. Avoid exposure to high humidity and maintain a relative humidity below 60%. Ensure proper ventilation in the storage area to prevent the accumulation of flammable gases.