Encyclopedia / Syntheses Material Intermediates / Other Chemicals

2,2'-dimethyl-1,1'-bianthraquinone

CAS：81-26-5
MW:442.46152
MF：C30H18O4

Email Tweet Share

Names and ldentifier
Safety and Handling
Msds
NMR Spectrum
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2,2'-dimethyl-1,1'-bianthraquinone

1.2 Synonyms: [1,1′-Bianthracene]-9,9′,10,10′-tetrone, 2,2′-dimethyl-; 1-(2-methyl-9,10-dioxoanthracene-1-yl)-2-methylanthracene-9,10-dione; 1-(9,10-diketo-2-methyl-1-anthryl)-2-methyl-9,10-anthraquinone; 1,1′-Bianthraquinone, 2,2′-dimethyl-; 1,1'-Bi(2-methylanthraquinone); 1,1'-Bianthraquinone,2,2'-dimethyl-(6CI,8CI); 1,1'-bis(2-methylanthraquinone); 2,2′-Dimethyl[1,1′-bianthracene]-9,9′,10,10′-tetrone; 2,2′-Dimethyl-1,1′-bianthraquinone; 2,2'-Dimethyl-[1,1']bianthryl-9,10,9',10'-tetraon; 2,2'-dimethyl-[1,1']bianthryl-9,10,9',10'-tetraone; 2,2'-Dimethyl-1,1'-bi[9,10-anthraquinone]; 2,2'-dimethyl-1,1'-bianthraquinone; 2.2'-Dimethyl-dianthrachinonyl-(1.1'); 2.2'-Dimethyl-dianthryl-(1.1')-dichinon-(9.10,9'.10'); 2-methyl-1-(2-methyl-9,10-dioxo-anthracen-1-yl)anthracene-9,10-dione; 2-methyl-1-(2-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione; 4,4′-Bis(3-methylanthraquinone); Bis-(2-methyl-anthrachinon-(9.10)-yl-(1)); Dichinyl; Dimethyldianthronyl; EINECS 201-338-3; F1091-0020; NSC 667253; NSC 7230;

View all

1.3 CAS No.: 81-26-5

1.4 CID: 6677

1.5 EINECS: 201-338-3

1.6 Molecular Formula: C30H18O4

1.7 Inchi: InChI=1S/C30H18O4/c1-15-11-13-21-25(29(33)19-9-5-3-7-17(19)27(21)31)23(15)24-16(2)12-14-22-26(24)30(34)20-10-6-4-8-18(20)28(22)32/h3-14H,1-2H3

1.8 InChkey: SOHQSWHUIQYXPT-UHFFFAOYSA-N

1.9 Canonical Smiles: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C4=C(C=CC5=C4C(=O)C6=CC=CC=C6C5=O)C

1.10 Isomers Smiles: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C4=C(C=CC5=C4C(=O)C6=CC=CC=C6C5=O)C

2. Safety and Handling

2.1 Report: Reported in EPA TSCA Inventory.

2.2 Safety: Poison by intravenous route. When heated to decomposition 2,2'-Dimethyl-1,1'-bianthraquinone (CAS NO.81-26-5) emits acrid smoke and irritating vapors.

2.3 Specification: 2,2'-Dimethyl-1,1'-bianthraquinone , its cas register number is 81-26-5. It also can be called 1,1'-Bianthraquinone, 2,2'-dimethyl- (6CI,8CI) ; Dichinyl ; and 2,2'-Dimethyl-1,1'-bianthracene-9,9',10,10'-tetrone .

2.4 Toxicity

ivn-mus LD50:180 mg/kg

CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04855 .

View all

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

4. NMR Spectrum

IR : KBr disc

IR : nujol mull

5. Synthesis Route

81-26-5Total: 11 Synthesis Route

82-26-8

81-26-5 4 Suppliers

82-28-0 43 Suppliers

81-26-5 4 Suppliers

View all

6. Precursor and Product

precursor:

84-54-8

82-26-8

74214-82-7

129-15-7

92439-31-1

91-20-3

82-28-0

129-35-1

product:

128-70-1

7. Computed Properties

Molecular Weight：442.46152g/mol
Molecular Formula：C₃₀H₁₈O₄
Compound Is Canonicalized：True
Exact Mass：6.2
XLogP3-AA：442.12050905
Monoisotopic Mass：442.12050905
Complexity：818
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：68.3
Heavy Atom Count：：34
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgAAAAAADASAmAAyAIAAAACIAqBSAAACAAAkAAAIiAEAAMgIIDKAFRCAIQAggAAIiYcJiMCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

8. Toltal 3 Suppliers View more

Hubei Jiutian Bio-medical Technology Co., Ltd

^1YR

Tel: Update Time:2024/09/17

inquire

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

Dynasty Colourants Co., Ltd.

Tel: Update Time:2010/12/18

inquire

9. Realated Product Infomation