CAS No.5858-81-1,LITHOL RUBIN BCA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5858-81-1
Name:	LITHOL RUBIN BCA
Article Data:	1

Formula:	C₁₈H₁₄N₂Na₂O₆S
Molecular Weight:	430.349
Synonyms:	Pigment Red 57;Permanent Red F 6R;Pigment Rubine B;PigmentRubine BCL;Plastol Rubine BC;Red 201;Red No. 201;Resamine Rubine BC;RubineRed RR 1253;Segnale Red 3R;Silotermo Carmine G;Siloton Rubine 2B;SilotonRubine B;Unipure Red LC 303;Permanent Red 4B;Lithol Rubine BNA;Lithol Rubine Red Toner DK;Lithol Rubine B;2-Naphthalenecarboxylicacid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, disodium salt (9CI);C.I.Pigment Red 57 (7CI);C.I. Pigment Red 57, disodium salt (8CI);11070 Red;C.I.15850;D and C Red 6;D and C Red No. 6;C Red 6;C Red No. 6;FDand C Red No. 6;Fuji Carmine 6B;Irgalite Red 4B;IrgaliteRubine PB;Isol Bona Rubine BK;Isol Bona Rubine BKS;Isol Bona Rubine KBK;Isol Ruby BK;Isol Ruby BKS;Japan Red 201;Japan Red No. 201;Kromon PermanentRed 4B;LC 303;
EINECS:	227-497-9
Density:	1.59[at 20℃]
Boiling Point:	791.71℃[at 101 325 Pa]
Solubility:	116g/L at 25℃
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-39
PSA:	150.66000
LogP:	3.61760

Synthetic route

: 92-70-6
3-Hydroxy-2-naphthoic acid

: [15N]-5-methyl-2-diazobenzenesulphonic acid hydrochloride

: 5858-81-1
D&C red no. 6

Conditions

Conditions	Yield
Stage #1: 3-Hydroxy-2-naphthoic acid With sodium hydroxide In water at 50℃; Stage #2: [15N]-5-methyl-2-diazobenzenesulphonic acid hydrochloride In water at 15 - 20℃; for 2h;

: 5858-81-1
D&C red no. 6

: calcium bis[2-(3-carboxy-2-hydroxynaphthylazo)-5-methylbenzenesulfonate]

Conditions

Conditions	Yield
With calcium chloride In water at 25 - 35℃; for 1.5 - 2h; Product distribution / selectivity;

Total:17 Page 1 of 1 1

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Uses

C.I. Pigment red 57, disodium salt (8ci) (CAS NO.5858-81-1) is mainly used to produce lake pigments.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 10800mg/kg (10800mg/kg)		Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

Specification

The C.I. Pigment red 57, disodium salt (8CI), with the CAS registry number 5858-81-1 and EINECS registry number 227-497-9, has the systematic name of disodium 3-hydroxy-4-(4-methyl-2-sulfonato-phenyl)azo-naphthalene-2-carboxylate. It is a kind of organics, and the molecular formula of the chemical is C₁₈H₁₄N₂Na₂O₆S.

The physical properties of C.I. Pigment red 57, disodium salt (8CI) are as followings: (1)#H bond acceptors: 8; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 150.66 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
(2)InChI: InChI=1/C18H14N2O6S.2Na/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2
(3)InChIKey: VPWFPZBFBFHIIL-NUQVWONBAY

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 10800mg/kg (10800mg/kg)		Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.