CAS 3536-49-0 MFCD00038746-Patent Blue V 专利蓝V钙盐 TAO{mole}

Patent Blue V 专利蓝V钙盐

CAS 3536-49-0 MFCD00038746

化学结构图

SMILES: CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(O)c(S(=O)(=O)O)cc2S(=O)(=O)[O-])cc1.[CaH2]

化学属性

Mol. Formula	C27H36CaN2O7S2
Mol. Weight	1159
Density
Boiling Point
Melting Point

别名和识别编码

Chemical Name	Patent Blue V
MDL Number	MFCD00038746
CAS Number	3536-49-0
Synonym	(4-(alpha-(p-(diethylamino)phenyl)-2,4-disulfobenzylidene)-2,5-cyclohexadien-1-ylidene)diethylammonium hydroxide inner salt sodium salt Acid Blue 3 Acid Blue 3 calcium salt Acid Blue V calcium salt Food Blue 5 Patent Blue V 半钙盐 Acidal Carmine V Bleu patente V Blue URS Blue VRS Blue ZN 3 C.I. 42051 C.I. 712 C.I. Acid Blue 3, calcium salt (2:1) C.I. Food Blue 5 C.I. acid blue 1 C.I. acid blue 3 Dai-ei Acid Pure Blue VX E 131 Patent Blue V calcium salt acid blue 1 acid blue 3 alphazurine 2G bleu patent V blue patent violet disulfine blue disulphine blue ethanaminium, n-(4-((4-(diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-n-ethyl-, hydroxide, inner salt,
Beilstein Registry Number	4108121
EC Number	222-573-8
PubChem Substance ID	77073
Chemical Name Translation	专利蓝V钙盐
InChIKey	RTMBGDBBDQKNNZ-UHFFFAOYSA-L
LabNetwork Molecule ID	LN00196785
InChI	InChI=1S/2C27H32N2O7S2.Ca/c21-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h29-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2

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分类

{SNA} All alphabetical sorted, Analytical Standards, Analytical/Chromatography, Chromatography, Colors, E numbers (Food Additives), E100–E199 (color additives), E131, Food & Beverage Standards, Standards for Personal Care and Cosmetic Products, Trigger for Food Allergies & Intolerances, neats, prohibited substances (EU-REGULATION No 1223/2009), 按字母排序, 食品色素标准品
{SNA} All Alphabetically Sorted, All alphabetical sorted, Analytical Standards, Analytical/Chromatography, Chromatography, Colors, E numbers (Food Additives), E100–E199 (color additives), E131,
{SNA} All Alphabetically Sorted,

安全信息

WGK Germany3

RTECSKH2752000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 38B,71,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FAONAU FAO Nutrition Meetings Report Series.  (Rome, Italy)  No.?-57,
   1948-77.  Discontinued.  Volume(issue)/page/year: 38B,71,1966

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其他信息

专利蓝V有两种争议的染料非常相似， C.I. 42045 和 42051. 结构上不同点在于：芳香环上其中之一的取代物， C.I. 42045 是 2,4-二硫-被取代而 C.I. 42051 是 2,4-而硫-5-羟基-被取代。我们的是后者。