CAS No.1103-39-5,Pigment Red 49:2 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1103-39-5
Name:	Pigment Red 49:2

Formula:	C₄₀H₂₈CaN₄O₈S₂
Molecular Weight:	796.8644
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);
EINECS:	214-161-1
Density:	1.42g/cm3
PSA:	221.06000
LogP:	12.19780

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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