Basic information
- CAS
59129-79-2- Standard SMILES
CCN(c1ccc(C)cc1)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21- InChIKey
IXHBSOXJLNEOPY-UHFFFAOYSA-N- Molecular formula
- C36H30N2O3
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.22564282
Overview
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Names & identifiers
- Preferred name
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-
- IUPAC
- 2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- 2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
- Molecular formula
- C36H30N2O3
- Molecular weight
- 538.64
Names & synonyms
2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-oneEINECS 261-618-63-(N-Ethyl-N-p-tolyl)amino-6-methyl-7-anilinofluoranDTXSID50886351Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)-3'-(N-Ethyl-N-p-tolylamino)-6'-methyl-7'-anilinofluoranSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-(phenylamino)-2'-Anilino-6'-(ethyl(p-tolyl)amino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-oneRefChem:888791DTXCID301025684261-618-659129-79-2
Show more names
ETACTJ-111(B-103)2-Anilino-3-methyl-6-(N-ethyl-p-toluidino)fluoran3-(N-ethyl-N-4-methylphenylamino)-6-methyl-7-anilino fluoran2-Anilin-6-(N-ethyl-p-toluidin)-3-Methylspiro[isobenzofuran -1(3_H_),9-xanthen]-3-on3-[Ethyl(p-tolyl)amino]-6-methyl-7-anilinospiro[9H-xanthene-9,3'-isobenzofuran]-1'-one
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 913
Physicochemical properties
- Boiling point
- 77 · 77-78 °C
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 0.53 · 0.53±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChIKey
- IXHBSOXJLNEOPY-UHFFFAOYSA-N
- SMILES
- C12(C3=C(C=C(N(CC)C4=CC=C(C)C=C4)C=C3)OC3=C1C=C(NC1=CC=CC=C1)C(C)=C3)C1=C(C=CC=C1)C(=O)O2
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)- (59129-79-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2020: 57,562 lb
Consumer UsesDye
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Not Known or Reasonably Ascertainable
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-(phenylamino)-: ACTIVE
Applications
Uses2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one is a hydrocarbon derivative and can be used as a thermal paper coupler, thermal ink, etc.
Suppliers35 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Connect Chemicals GmbH+49 2102 2077 19 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
Related reactions
1 records
Compound notes
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