1,4-Bis((2-methylphenyl)amino)anthraquinone

HCID 62618CAS 6737-68-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccccc1Nc1ccc(Nc2ccccc2C)c2c1C(=O)c1ccccc1C2=O
InChIKey
OLJXWJUQRAOAMD-UHFFFAOYSA-N
Molecular formula
C28H22N2O2
Average molar mass
418.5 g/mol
Monoisotopic mass
418.16812794

Names & identifiers

Preferred name
1,4-Bis((2-methylphenyl)amino)anthraquinone
IUPAC
1,4-bis(2-methylanilino)anthracene-9,10-dione
English name
Solvent Blue 101
Molecular formula
C28H22N2O2
Molecular weight
418.49

Names & synonyms

Solvent Blue 1019,10-Anthracenedione, 1,4-bis[(2-methylphenyl)amino]-9,10-Anthracenedione, 1,4-bis((2-methylphenyl)amino)-1,4-Bis[(2-methylphenyl)amino]anthraquinone1,4-Bis((2-methylphenyl)amino)anthraquinoneRefChem:4163799,10-Anthracenedione, 1,4-bis(2-methylphenyl)amino-6737-68-41,4-Bis(2-methylanilino)anthraquinone1,4-bis(2-methylanilino)anthracene-9,10-dioneSolvent Blue 101 (Technical Grade)C.I. Solvent Blue 101
Show more names
Blue EC.I. 615670C.I.Solvent Blue 101Solvent Blue 101,100%C.I.Solvent Blue 101:C.I.6156701,4-Bis[(2-methylphenyl)amino]anthracene-9,10-dione
1,4-Di(2'-methylphenylamino)anthracene-9,10-dione78R748M70IEINECS 229-792-8UNII-78R748M70IHYTHERM BLUE EMORPLAS BLUE ESCHEMBL306224DTXSID9052349

Database identifiers

CAS
6737-68-4
PubChem CID
62618
DTXSID
DTXSID9052349
UNII
78R748M70I
EC Number
229-792-8
Nikkaji
J298.091F

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
58.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
32

Experimental & physicochemical properties

Food AdditivesDevices -> FDA Regulatory Status of Color Additives

Physicochemical properties

Melting point
220.5 · 220.5-221.0 °C
Boiling point
612 · 612.0±55.0 °C(Predicted)
Density
1.292 · 1.292
vapor pressure
0 Pa · 0Pa at 25℃
pka
-0.66 · -0.66±0.20(Predicted)
Water Solubility
6.97 ng/L · 6.97ng/L at 25℃

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (52 of 52) of all reports.

Not Classified

Aggregated GHS information provided per 52 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 9,10-Anthracenedione, 1,4-bis[(2-methylphenyl)amino]-

REACH registered substance: 1,4-bis[(2-methylphenyl)amino]anthraquinone (EC: 229-792-8)

9,10-Anthracenedione, 1,4-bis(2-methylphenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified

Safety data

tsca
TSCA listed
REACH Registrations
Inactive

Chemistry & industry

Uses & manufacturing

General Manufacturing Information9,10-Anthracenedione, 1,4-bis[(2-methylphenyl)amino]-: ACTIVE

Applications

UsesSolvent Blue 101 (Technical Grade) can be used for volatile dye and recording method.

Preparation methods

Preparation1,4-Dihydroxyanthracene-9,10-dione and O-Methylaniline (2 Moore) condensation.

Upstream & downstream products

Suppliers13 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

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