Basic information
- CAS
528-58-5- Standard SMILES
Oc1cc(O)c2cc(O)c(-c3ccc(O)c(O)c3)[o+]c2c1.[Cl-]- InChIKey
COAWNPJQKJEHPG-UHFFFAOYSA-N- Molecular formula
- C15H11ClO6
- Average molar mass
- 322.69 g/mol
- Monoisotopic mass
- 322.0244158
Names & identifiers
- Preferred name
- Cyanidin Chloride
- IUPAC
- 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol chloride
- English name
- CYANIDIN CHLORIDE
- Molecular formula
- C15H11ClO6
- Molecular weight
- 322.7
Names & synonyms
Cyanidin chloride528-58-5Cyanidol chlorideIdB-10273,3',4',5,7-Pentahydroxyflavylium chloride1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyrylium chloride3,3',4',5,7-Pentahydroxy-2-phenylbenzopyrylium chloride2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chlorideNSC-4072912G4283G96UDTXSID80967263
Show more names
cyanidolAnthocyanosidesCompound anthocyaninBlueberry proanthocyanidinscyanidin(1-)Black rice P.ECyanidinchloridcyanidolchlorideBilberry Extrcct
Flavylium, 3,3',4',5,7-pentahydroxy-, chloride1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride (1:1)RefChem:33986DTXCID701394863208-438-62-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxychromenylium chlorideIdb 1027Gastrotelos
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 349.55 °C · 349.55°C (rough estimate)
- Density
- 1.2843 · 1.2843 (rough estimate)
- refractive index
- 1.4413 · 1.4413 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO
- form
- Solid
- color
- Brown
- Stability
- Hygroscopic
- InChI
- InChI=1S/C15H10O6.ClH/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;/h1-6H,(H4-,16,17,18,19,20);1H
- InChIKey
- COAWNPJQKJEHPG-UHFFFAOYSA-N
- SMILES
- C1(=C(O)C=C2C(O)=CC(O)=CC2=[O+]1)C1C=CC(O)=C(O)C=1.[Cl-]
- CAS DataBase Reference
- 528 · 528-58-5(CAS DataBase Reference)
- FDA UNII
- 2 G4283G96U · 2G4283G96U
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 25 · NA.25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- LK9824000
- hs_code
- 29329990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionCyanidin chloride is a hydrolysis or naturally occurring compound that is found in many red berries, namely blackberry, bilberry, cherry, grapes, raspberry, and cranberry. It can slo be found in flowers and fruits that contain cyanidin-derivatives such as plums, apples, as well as red onion and red cabbage. Cyanidin chloride is reddish-purple in color, which normally changes according to the pH.
UsesCyanidin Chloride is a flavonoid compound that protects neuronal cells from oxidative stress. Present in tart cherries, it also contributes to antiinflammatory and antioxidant activities.
General DescriptionThis substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都普瑞法科技开发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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