Basic information
- CAS
643-84-5- Standard SMILES
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O.[Cl-]- InChIKey
KQIKOUUKQBTQBE-UHFFFAOYSA-N- Molecular formula
- C17H15ClO7
- Average molar mass
- 366.7 g/mol
- Monoisotopic mass
- 366.0506305
Names & identifiers
- Preferred name
- Malvidin Chloride
- IUPAC
- 2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol chloride
- English name
- MALVIDIN CHLORIDE
- Molecular formula
- C17H15ClO7
- Molecular weight
- 366.75
Names & synonyms
Malvidin chloride643-84-5SyringidinPrimulidinEnidin3,4',5,7-Tetrahydroxy-3',5'-dimethoxyflavylium chlorideGL5KGZ4D8UNSC-94526RefChem:800844211-403-8Malvinidol chlorideSyringidin chloride
Show more names
malvidinMalvidinchloridOenidin chloride
MalvidolOenidinMalvinidinMalvidin (chloride)2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3,5,7-triol;chloride3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium chlorideMALVIDINCHLORIDEEINECS 211-403-8
Database identifiers
- CAS
643-84-5- PubChem CID
- 69512
- DTXSID
DTXSID00982857- ChEMBL
CHEMBL592005- UNII
- GL5KGZ4D8U
- EC Number
- 211-403-8
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Melting point
- 300 ℃ · 300℃
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Very Slightly)
- form
- Solid
- color
- Very Dark Brown to Black
- Stability
- Hygroscopic
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7H,1-2H3,(H3-,18,19,20,21);1H
- InChIKey
- KQIKOUUKQBTQBE-UHFFFAOYSA-N
- SMILES
- C1(=CC(=C(O)C(OC)=C1)OC)C1=C(O)C=C2C(O)=CC(O)=CC2=[O+]1.[Cl-]
- CAS DataBase Reference
- 643 · 643-84-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 KGZ4D8U · GL5KGZ4D8U
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 25 · NA.25
- PPE
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 Classification
This chemical does not meet GHS hazard criteria for 100% (13 of 13) of all reports.
Not Classified
Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- LK9900000
- hs_code
- 29329990
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesMalvidin Chloride is a chemical dye for hair.
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
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海纯优生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…