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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,4-bis(mesitylamino)anthraquinone

Inventory

EC number:
204-155-7
EC name:
1,4-bis(mesitylamino)anthraquinone
CAS number:
116-75-6
CAS number:
116-75-6
Synonyms
Names:
9,10-Anthracenedione, 1,4-bis (2,4,6-trimethylphenyl)amino -
9,10-Anthracenedione, 1,4-bis[(2,4,6-trimethylphenyl)amino]-
Identifier:
CAS number
116-75-6
Identifier:
EC name
1,4-bis(mesitylamino)anthraquinone
Identifier:
EC number
204-155-7
Identifier:
IUPAC name
1,4-bis(mesitylamino)anthraquinone
Identifier:
IUPAC name
1,4-bis[(2,4,6-trimethylphenyl)amino]-9,10-dihydroanthracene-9,10-dione
Identifier:
Colour Index
61568
Identifier:
common name
Solvent Blue 104
Identifier:
other: SMILES notation
CC1=CC(C)=C(NC2=CC=C(NC3=C(C)C=C(C)C=C3C)C3=C2C(=O)C2=CC=CC=C2C3=O)C(C)=C1
Identifier:
other: InChl
InChI=1S/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3
Identifier:
other: InChl
InChI=1S/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3
Identifier:
other: SMILES notation
O=C(c(c(C(=O)c1c(Nc(c(cc(c2)C)C)c2C)ccc3Nc(c(cc(c4)C)C)c4C)ccc5)c5)c13
Identifier:
other: SMILES notation
O=C1c2c(C(=O)c3c(Nc4c(cc(cc4C)C)C)ccc(c13)Nc1c(cc(cc1C)C)C)cccc2 C1=CC=CC2=C1C(C3C(C2=O)C(=CC=C3N(C4=C(C=C(C=C4C)C)C)[H])N(C5=CC=C(C=C5C)C)[H])=O C1=CC=CC2=C1C(C3C(C2=O)C(=CC=C3N(C4=C(C=C(C=C4C)C)C)[H])N(C5=C(C=C(C=C5C)C)C)[H])=O
1,4-bis(mesitylamino)-9,10-anthraquinone

Molecular and structural information

Molecular formula:
C32H30N2O2
Molecular weight:
474.593
SMILES notation:
Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c4C(=O)c5ccccc5C(=O)c24)c(C)c1
InChl:
InChI=1/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3
Structural formula:
Chemical structure

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