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Pigment Red 49:2

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Pigment Red 49:2

EINECS 214-161-1
CAS No. 1103-39-5 Density 1.42g/cm3
PSA 221.06000 LogP 12.19780
Solubility N/A Melting Point N/A
Formula C40H28CaN4O8S2 Boiling Point N/A
Molecular Weight 796.8644 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1103-39-5 (Pigment Red 49:2) Hazard Symbols N/A
Synonyms

No. 66. Conc. Lithol Toner;Lithol Red Toner 3BX;Lithol Red RL 159;Calcotone Red 2B;Calcium Lithol Red;Cortone Red TG-B;D and C Red No.11;1-Naphthalenesulfonicacid, 2-[(2-hydroxy-1-naphthalenyl)azo]-, calcium salt (2:1) (9CI);C.I.Pigment Red 49, calcium salt (2:1) (8CI);CalciumLithol;C.I. Pigment Red 49:2;C.I. Pigment Red 49, calcium salt;1-Naphthalenesulfonicacid, 2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, calcium salt (2:1);

 

Pigment Red 49:2 Specification

The Pigment Red 49:2, with the CAS registry number 1103-39-5 and EINECS registry number 214-161-1, has the systematic name of calcium bis{2-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]naphthalene-1-sulfonate}. It is a kind of red powder, and usually used for the pigmentation of ink, paint, watercolor, paper and leather. And the molecular formula of the chemical is C40H28CaN4O8S2.

The physical properties of Pigment Red 49:2 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: [Ca+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.Ca/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: AKLXUSFMCRHRNU-IZJLSPTCBK

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