Basic information
- CAS
5950-69-6- Standard SMILES
O=C1c2ccccc2C(O)(O)C1(O)C1(O)C(=O)c2ccccc2C1(O)O- InChIKey
QHVADKNWNMILPQ-UHFFFAOYSA-N- Molecular formula
- C18H14O8
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.0688674
Names & identifiers
- Preferred name
- Hydrindantin dihydrate
- IUPAC
- 2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one
- English name
- HYDRINDANTIN
- Molecular formula
- C18H14O8
- Molecular weight
- 358.3
Names & synonyms
Hydrindantin dihydrate5950-69-6Hydrindantin, anhydrous[2,2'-Bi-1H-indene]-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-EINECS 227-713-1NSC 108697BRN 1895666(2,2'-Biindan)-1,1',3,3'-tetrone, 2,2'-dihydroxy-, 1,1'-dihydrate[2,2'-Biindan]-1,1'-dione, 2,2',3,3,3',3'-hexahydroxy-DTXSID20884203(2,2'-Bi-1H-indene)-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-(2,2'-BIINDAN)-1,1'-DIONE, 2,2',3,3,3',3'-HEXAHYDROXY-
Show more names
HYDRINDANTINHYDRINDANTINEAnhydrous hydrindantinhydrindantin,anhydrousHydrindantindihydrate,98%Hydrindantin dihydrate,96%Hydrindantin dihydrate, 96% 10GR2,2'-DIHYDROXY-2,2'-BIINDAN-1,1',3,3'-TETRONE2,2,3,3,3,3-Hexahydroxy-2,2-biindan-1,1-dione2,2,3,3,3,3-hexahydroxy-2,2-bisindan-1,1-dione
(2,2'-Biindan)-1,1',3,3'-tetrone, 2,2'-dihydroxy-, 1,1'-dihydrate (7CI)RefChem:147042DTXCID1089976DTXCID501023658(2,2'-BI-1H-INDENE)-1,1',3,3'(2H,2'H)-TETRONE, 2,2'-DIHYDROXY-, DIHYDRATE(2,2'-Bi-1H-indene)-1,1',3,3'(2H,2'H)-tetrone, 2,2'-dihydroxy-, hydrate (1:2)(2,2'-BIINDAN)-1,1',3,3'-TETRONE, 2,2'-DIHYDROXY-, DIHYDRATE16289-95-5
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Melting point
- 252 °C · 252 °C (dec.)(lit.)
- Boiling point
- 410.75 °C · 410.75°C (rough estimate)
- Density
- 1.3594 · 1.3594 (rough estimate)
- refractive index
- 1.443 · 1.4430 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Powder
- pka
- 10.12 · 10.12±0.40(Predicted)
- color
- Light beige to beige-pink
- Water Solubility
- Insoluble in water. Soluble with decomposition in aqueous sodium carbonate (deep red color) and in sodium hydroxide solutions (deep blue color).
- Merck
- 14 · 14,4775
- BRN
- 1895666 · 1895666
- InChI
- InChI=1S/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H
- InChIKey
- QHVADKNWNMILPQ-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC=C2)C(O)(O)C1(O)C1(O)C(O)(O)C2=C(C1=O)C=CC=C2
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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: [2,2'-Bi-1H-indene]-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-
[2,2'-Bi-1H-indene]-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- F
- 8
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DU2989000
- hs_code
- 29144090
- risk_code
- 22-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xn,Xi
- safety_code
- 26-39-36/37/39-27
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[2,2'-Bi-1H-indene]-1,1'-dione, 2,2',3,3'-tetrahydro-2,2',3,3,3',3'-hexahydroxy-: ACTIVE
Applications
UsesHydrindantin hydrate is a biochemical assay reagent, which is utilized in quantitation determination of amino acid[1].
Suppliers90 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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