Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3'-chloro-6'-(cyclohexylamino)-
Basic information
- CAS
26206-78-0- Standard SMILES
O=C1OC2(c3ccc(Cl)cc3Oc3cc(NC4CCCCC4)ccc32)c2ccccc21- InChIKey
RDQSNMHMCMDRHU-UHFFFAOYSA-N- Molecular formula
- C26H22ClNO3
- Average molar mass
- 431.9 g/mol
- Monoisotopic mass
- 431.1288213
Names & identifiers
- Preferred name
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3'-chloro-6'-(cyclohexylamino)-
- IUPAC
- 3'-chloro-6'-(cyclohexylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 3'-Chloro-6'-(cyclohexylamino)fluoran
- Molecular formula
- C26H22ClNO3
- Molecular weight
- 431.91
Names & synonyms
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3'-chloro-6'-(cyclohexylamino)-EINECS 247-518-5DTXSID00885339Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3'-chloro-6'-(cyclohexylamino)-RefChem:888775DTXCID80102472426206-78-03'-chloro-6'-(cyclohexylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one3'-Chloro-6'-(cyclohexylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one3'-chloro-6'-(cyclohexylamino)fluoranSCHEMBL4608655RDQSNMHMCMDRHU-UHFFFAOYSA-N
Show more names
3-Chloro-6-(cyclohexylamino)-fluoran3'-Chloro-6'-(cyclohexylamino)fluoranthene3,-chloro-6,-(cyclohexylamino)-3H-spiro[isobenzofuran-1,9,-xanthen]-3-one3'-Cyclohexylamino-6'-chlorospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one3'-chloro-6'-(cyclohexylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-onespiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one, 3'-chloro-6'-(cyclohexylamino)9'-[9H]xanthen]-3-one, 3'-chloro-6'-(cyclohexylamino)-Spiro [isobenzofuran-1(3H)
NS000514473'-Chloro-6'-(cyclohexylamino)-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one3'-Chloro-6'-(cyclohexylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 682
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 625.3 · 625.3±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 3.73 · 3.73±0.20(Predicted)
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3'-chloro-6'-(cyclohexylamino)- (26206-78-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3'-chloro-6'-(cyclohexylamino)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3'-chloro-6'-(cyclohexylamino)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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