Basic information
- CAS
1568-80-5- Standard SMILES
CC1(C)CC2(CC(C)(C)c3ccc(O)cc32)c2cc(O)ccc21- InChIKey
SICLLPHPVFCNTJ-UHFFFAOYSA-N- Molecular formula
- C21H24O2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.17763001
Names & identifiers
- Preferred name
- 1,1'-Spirobi(1H-indene)-6,6'-diol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-
- IUPAC
- 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
- English name
- SPIROBIINDANE
- Molecular formula
- C21H24O2
- Molecular weight
- 308.41
Names & synonyms
1568-80-52,2',3,3'-Tetrahydro-3,3,3',3'-tetramethyl-1,1'-spirobi(1H-indene)-6,6'-diol1,1'-Spirobi(1H-indene)-6,6'-diol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-1,1'-Spirobi[1H-indene]-6,6'-diol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-2,2',3,3'-Tetrahydro-3,3,3',3'-tetramethyl-1,1'-spirobi[1H-indene]-6,6'-diolRefChem:2124343,3,3',3'-tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diolSPIROBIINDANEHIV-1 integrase inhibitor 8MFCD014129451,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-6,6'-diol
Show more names
SiC Nanowires CVD MethodTIANFU-CHEM CAS NO.1568-80-5 SPIROBIINDANESiC Nanowires for Industry(L: ~10μm, Purity:~80%)3,3,3',3'-Tetramethyl-1,1'-spirobi[indan]-6,6'-diolSiC Nanowires for Industry(L:10-50μm , Purity: ~96%)tetrahydrotetramethyl-1,1'-spirobi-1H-indene-6,6'-diol6,6'-Dihydroxy-3,3,3',3'-tetramethyl-1,1'-spirobiindan
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 213 · 213-214 °C
- Boiling point
- 478.5 · 478.5±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO : 125 mg/mL (405.30 mM; Need ultrasonic)
- pka
- 9.98 · 9.98±0.60(Predicted)
- form
- Solid
- color
- White to off-white
- Henry's Law Constant
- 1.5 · 1.5×106 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C21H24O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,22-23H,11-12H2,1-4H3
- InChIKey
- SICLLPHPVFCNTJ-UHFFFAOYSA-N
- SMILES
Safety & regulation
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- Toxicity
- rat,LD50,oral,> 5gm/kg (5000mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),International Journal of Toxicology. Vol. 19, Pg. 366, 2000.
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS08
- Hazard statements
- H315-H319-H410-H227-H372
- Precautionary statements
- P501-P273-P210-P264-P280-P302+P352-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,1'-Spirobi[1H-indene]-6,6'-diol, 2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl-: INACTIVE
Applications
UsesHIV-1 integrase inhibitor 8 is a HIV-1 integrase inhibitor, compound 8[1].
Upstream & downstream products
Upstream raw materials
Suppliers90 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海药诚医药科技合伙企业（有限合伙）
Related reactions
1 records
Compound notes
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