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Basic Information
CAS No.: 129-17-9
Name: Acid blue 1
Molecular Structure:
Molecular Structure of 129-17-9 (Acid blue 1)
Formula: C27H32N2NaO6S2
Molecular Weight: 566.675
Synonyms: C.I. AcidBlue 1, sodium salt (8CI);Xylene Blue VS (6CI);[4-[a-[p-(Diethylamino)phenyl]-2,4-disulfobenzylidene]-2,5-cyclohexadien-1-ylidene]diethylammoniumhydroxide, inner salt, sodium salt (7CI);1085 Blue;Acid Blue V;Acid Bright Azure Z;Acid Brilliant Blue Z;Acid Brilliant Sky Blue Z;Acid Patent Blue VS;Acid Pattern Blue VS;Acid Turquoise Blue V;Alphazurine 2G;Azure Blue VX;Blue URS;Blue VRS90147;Brilliant Blue GS;C.I. 42045;C.I. Food Blue 3;Carmine Blue VF;Kiton Pure BlueV.FQ;Libacid Patent Blue LVS;Patent Blue VF;Patent Blue VF-CF;Patent blue violet;Simacid Blue V;Sodium Patent Blue V;Sulfanblue;Sumitomo Patent Pure Blue VX;
EINECS: 204-934-1
Density: 0.392[at 20℃]
Melting Point: 290ºC
Solubility: 1 g/20 mL (20 °C) in water
Appearance: greenish blue powder
Hazard Symbols: ToxicT
Risk Codes: 45
Safety: 24/25-53-45
PSA: 137.41000
LogP: 5.92380
Synthetic route
129-17-9

Alphazurine 2G

patent blue VF sulfonyl chloride

Conditions
ConditionsYield
With trichlorophosphate at 0 - 20℃; for 72h; Inert atmosphere;90%
With trichlorophosphate at 20℃; for 72h;
129-17-9

Alphazurine 2G

sodium; 4-[(4-diethylamino-cyclohexa-2,5-dienylidene)-(4-diethylamino-phenyl)-methyl]-3-sulfo-benzenesulfonate

Conditions
ConditionsYield
In water Kinetics; Electrochemical reaction;
129-17-9

Alphazurine 2G

1310568-66-1

C64H100N3O22PS2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate / 72 h / 20 °C
2: dmap; triethylamine / dichloromethane; N,N-dimethyl-formamide / 0 - 20 °C / Inert atmosphere
View Scheme
129-17-9

Alphazurine 2G

1310568-67-2

C60H92N3O22PS2

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: trichlorophosphate / 72 h / 20 °C
2: dmap; triethylamine / dichloromethane; N,N-dimethyl-formamide / 0 - 20 °C / Inert atmosphere
3: trimethylsilyl bromide / dichloromethane / 20 °C
View Scheme
129-17-9

Alphazurine 2G

C43H64N6O12S2

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: trichlorophosphate / 72 h / 0 - 20 °C / Inert atmosphere
2.1: triethylamine; dmap / dichloromethane / 0.25 h / 0 °C / Inert atmosphere
2.2: 16 h / 0 - 20 °C / Inert atmosphere
View Scheme
129-17-9

Alphazurine 2G

2C27H31N2O6S2(1-)*Ba(2+)

Conditions
ConditionsYield
With barium(II) chloride dihydrate In water at 50℃; for 2h; Inert atmosphere;
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  •  Shanghai Yuanye Bio-Technology Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-21-61845781

    Address:Building 6, No. 465, Changta Road,Songjiang District,Shanghai,China

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  • Patent Blue VF

  • Casno:

    129-17-9

    Patent Blue VF

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    chemical reagent Application:chemical reagent

    Shandong Benrite New chemical Materials Co., Ltd. is a high-tech enterprise integrating the research and development, production, and sales of pharmaceutical intermediates, electro

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Specification

The IUPAC name of Acid blue 1 is sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate. With the CAS registry number 129-17-9 and EINECS 204-934-1, it is also named as C.I. Food Blue 3. The classification codes are Coloring Agents; Human Data; Mutation data; Tumor data. It is greenish blue powder which is stable and incompatible with strong oxidizing agents. When heated to decomposition it emits very toxic fumes of NOx, NH3, Na2O and SOx. Additionally, the storage environment should be well-ventilated, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 131.75 Å2; (5)Rotatable Bond Count: 7; (6)Exact Mass: 566.152123; (7)MonoIsotopic Mass: 566.152123; (8)Topological Polar Surface Area: 137; (9)Heavy Atom Count: 38; (10)Formal Charge: 0; (11)Complexity: 1040; (12)Isotope Atom Count: 0; (13)Covalently-Bonded Unit Count: 2.

Preparation and Uses of Acid blue 1: The condensation of Benzaldehye-2,4-disulfonic acid with N, N-diethyl aniline gives the corresponding product. After salting out, we can get the product. Acid blue 1 is mainly used for dyeing and printing wool and silk fabrics. It can also be used to prepare carbon paper, black water and the lake. Besides, it can be used for coloring plastics and bio-coloring.

When you are using this chemical, please be cautious about it as the following:
It may cause cancer, so people should avoid contacting with skin and eyes. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Avoid exposure - obtain special instructions before use.

People can use the following data to convert to the molecule structure. 
1. SMILES:[Na+].[O-]S(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)C(=C\2/C=C\C(=[N+](\CC)CC)/C=C/2)/c3ccc(N(CC)CC)cc3
2. InChI:InChI=1/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
3. InChIKey:SJEYSFABYSGQBG-REWHXWOFAV

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man LDLo intravenous 33ug/kg (0.033mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 611, 1969.
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Food and Cosmetics Toxicology. Vol. 5, Pg. 165, 1967.
mouse LD50 intravenous 1200mg/kg (1200mg/kg)   Scientia Pharmaceutica. Vol. 47, Pg. 39, 1979.
rat LD oral > 3gm/kg (3000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(2), Pg. 54, 1963.
rat LD50 intravenous 5gm/kg (5000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 46A, Pg. 49, 1969.