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Pigment Red 49:1

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Pigment Red 49:1

EINECS 214-160-6
CAS No. 1103-38-4 Density 1.66[at 20℃]
PSA 221.06000 LogP 12.19780
Solubility N/A Melting Point 310 - 311oC
Formula C40H26BaN4O8S2 Boiling Point N/A
Molecular Weight 892.1134 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1103-38-4 (Pigment Red 49:1) Hazard Symbols N/A
Synonyms

Symuler Red 2R BA salt;Symuler Red 3016;Sunbrite Red 210-4200;Sanyo Lacquer Red RN;Seikafast Red LR 116;Seikafast Red 116;Lithol Red Barium Toner;Lithol Red 22060;Lithol Red 27965;Barium Lithol;Barium Lithol Red;C Red No. 12 barium lake;Isol RedToner GB;Isol Red Toner RB;Isol Tobias Red 3BK;Isol Tobias Red GB;IsolTobias Red RB;Japan Red 207;Japan Red No. 207;Light Red RB;Barium 2-(2-hydroxy-1-naphthylazo)-1-naphthalenesulfonate;C.I. Pigment Red 49, barium salt (7CI);C.I. PigmentRed 49, barium salt (2:1) (8CI);1-Naphthalenesulfonicacid, 2-[(2-hydroxy-1-naphthalenyl)azo]-, barium salt (2:1) (9CI);

 

Pigment Red 49:1 Specification

The Pigment Red 49:1, with the CAS registry number 1103-38-4 and EINECS registry number 214-160-6, has the systematic name of barium bis{2-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]naphthalene-1-sulfonate}. It is a kind of red powder, which is slightly soluble in hot water, ethanol, acetone and sodium hydroxide solution. It belogns to the product category of Organic-metal salt. And the molecular formula of the chemical is C40H26BaN4O8S2. What's more, it is a kind of economical pigment, and always used as tinting colour of Ink, watercolor and oil.

The physical properties of Pigment Red 49:1 are as followings: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 95.42 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ba+2].[O-]S(=O)(=O)c1c4c(ccc1N\N=C2\c3ccccc3\C=C/C2=O)cccc4.[O-]S(=O)(=O)c1c4c(ccc1N/N=C2/c3ccccc3\C=C/C2=O)cccc4
(2)InChI: InChI=1/2C20H14N2O4S.Ba/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,21H,(H,24,25,26);/q;;+2/p-2/b2*22-19-;
(3)InChIKey: MMXGUEISHWEPDM-IZJLSPTCBJ

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