3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran
Basic information
- CAS
36431-22-8- Standard SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccc(C)cc3C)cc1C21OC(=O)c2ccccc21- InChIKey
GFGSEGIRJFDXFP-UHFFFAOYSA-N- Molecular formula
- C33H32N2O3
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.24129289
Names & identifiers
- Preferred name
- 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran
- IUPAC
- 6'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran
- Molecular formula
- C33H32N2O3
- Molecular weight
- 504.62
Names & synonyms
36431-22-83-Diethylamino-6-methyl-7-(2,4-xylidino)fluoranA369O30BOISpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-WINCON 15YAMAMOTO BLACK 15J278.536FDTXSID0027989Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-2'-((2,4-dimethylphenyl)amino)-3'-methyl-3-DIETHYLAMINO-6-METHYL-7-(2',4'-DIMETHYLANILINO)FLUORAN3'-(DIETHYLAMINO)-6'-METHYL-7'-(2,4-XYLIDINO)SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONERefChem:501069
Show more names
BK-15BLACK-152-(2',4'-DIMETHYLPHENYLAMINO)-3-METHYL-6-DIETHYLAMINOFLUORANTJ-107(BK-15YAMAMOTOBLACK153-Diethylamino-7-(2,4-dimethylanilino)-6-methylfluoran2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluorane3-DIETHYLAMINO-6-METHYL-7-(2',4'-DIMETHYLPHENYLAMINO)FLUORAN2-(2',4'-dimethylbenzenamino)-3-methyl-6-diethylaminofluoran2-(2-4-DIMETHYLBENZENEAMIDO)-3-METHYL-6-(DIETHYL AMINO)FLUORANE
DTXCID507989609-245-32-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran6'-(diethylamino)-2'-((2,4-dimethylphenyl)amino)-3'-methyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-oneMFCD087032976'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one6'-(Diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one
Database identifiers
- CAS
36431-22-8- PubChem CID
- 118972
- DTXSID
DTXSID0027989- UNII
- A369O30BOI
- EC Number
- 609-245-3
- Nikkaji
- J278.536F
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 846
Physicochemical properties
- Boiling point
- 686.6 · 686.6±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 4.94 · 4.94±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChIKey
- GFGSEGIRJFDXFP-UHFFFAOYSA-N
- SMILES
- C12(C3=C(C=C(N(CC)CC)C=C3)OC3=C1C=C(NC1=CC=C(C)C=C1C)C(C)=C3)C1=C(C=CC=C1)C(=O)O2
- FDA UNII
- 369 O30BOI · A369O30BOI
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl- (36431-22-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[(2,4-dimethylphenyl)amino]-3'-methyl-: ACTIVE
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Compound notes
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