Basic information
- CAS
21934-68-9- Standard SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(C)cc(C)c1C21OC(=O)c2ccccc21- InChIKey
XUFBVJQHCCCPNM-UHFFFAOYSA-N- Molecular formula
- C26H25NO3
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.18344366
Names & identifiers
- Preferred name
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-1',3'-dimethyl-
- IUPAC
- 6'-(diethylamino)-1',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 6'-(Diethylamino)-1',3'-dimethylfluoran
- Molecular formula
- C26H25NO3
- Molecular weight
- 399.48
Names & synonyms
EINECS 244-667-8Fluoran, 3'-(diethylamino)-6',8'-dimethyl-DTXSID708851846'-(Diethylamino)-1',3'-dimethylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-1',3'-dimethyl-Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-1',3'-dimethyl-6'-(diethylamino)-1',3'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-oneRefChem:888782DTXCID601024578244-667-821934-68-96'-(Diethylamino)-1',3'-dimethylfluoran
Show more names
MR3ORANGEDCFR-201(D-5)1,3-Dimethyl-6-diethylaminofluoran1,3-Dimethyl-6-diethylaminofluoranthene3’-(diethylamino)-6’,8’-dimethyl-Fluoran6'-(Diethylamino)-1',3'-dimethylfluorane6''-(DIETHYLAMINO)-1'',3''-DIMETHYLFLUORA
6'-(Diethylamino)-1',3'-dimethyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one6'-(diethylamino)-1',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-oneMFCD082763493'-(diethylamino)-6',8'-dimethyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one6-(Diethylamino)-1,3-Dimethylfluora6'-(diethylamino)-1',3'-dimethyl-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one6'-(diethylamino)-1',3'-dimethyl-spiro[isobenzofuran-3,9'-xanthene]-1-oneorb3218166
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 648
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 592.3 · 592.3±50.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- form
- powder to crystal
- pka
- 5.14 · 5.14±0.20(Predicted)
- color
- White to Almost white
- InChI
- 1S/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3
- InChIKey
- XUFBVJQHCCCPNM-UHFFFAOYSA-N
- SMILES
- N(CC)(CC)c1cc2c(cc1)C4(OC(=O)c5c4cccc5)c3c(cc(cc3C)C)O2
- CAS DataBase Reference
- 21934 · 21934-68-9
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-1',3'-dimethyl- (21934-68-9)
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% (12 of 12) of all reports.
Not Classified
Aggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-1',3'-dimethyl-
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 2932.99.7000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-1',3'-dimethyl-: ACTIVE
Applications
Uses6'-(Diethylamino)-1',3'-dimethylfluoran is a versatile compound widely recognized for its applications in fluorescence and dye chemistry. This compound, also known as a Fluorescein derivative, exhibits strong fluorescent properties, making it an excellent choice for use in various analytical and diagnostic applications.
Suppliers100 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
河南萨克斯生物科技有限公司13803717460 · [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]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
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No reaction records under the current filter.
Compound notes
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