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Sulfan Blue

HCID 8507
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
129-17-9
Standard-SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1.[Na+]
InChIKey
SJEYSFABYSGQBG-UHFFFAOYSA-M
Summenformel
C27H31N2NaO6S2
Durchschnittliche Molmasse
566,7 g/mol
Monoisotopische Masse
566,15212334

Überblick

Sulfan blue is a dark greenish-black powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
Sulfan Blue
IUPAC
sodium 4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,3-disulfonate
Englischer Name
Acid blue 1
Summenformel
C37H29N3O6S2.Na
Molmasse
566.66

Namen und Synonyme

Patent Blue VFSulfan BlueBlue VRSAcid Blue VHexacol Blue VRSSulphanblauDisulphen BlauDisulphine VNAlphazurine 2GHidacid Blue VLeather Blue GAmacid Blue V
Weitere Namen anzeigen
PATENT BLUE V SODIUM SALTE131CI 42770ACID BLUEXYLENE BLUEPATENT BLUEACID BLUE 3CI NO 42045CI NO 42090SULPHAN BLUE
Carmine Blue VFCarmin Blue VSFenazo Blue XFPatent Blue VSXylene Blue VSC.I. Acid Blue 1, sodium saltC.I. Food Blue 3Erioglaucine Supra

Datenbank-Bezeichner

CAS
129-17-9、30586-15-3
PubChem CID
8507
DTXSID
DTXSID3026065
ChEMBL
CHEMBL1731183
ChEBI
CHEBI:34906
UNII

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
137 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
7
Schwere Atome
38
Formalladung
0
Komplexität
1.040

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Di- and Triaryl Dyes
CosmeticsHair dyeing; Cosmetic colorant
Color/Form · 2 Einträge

VIOLET POWDER

Dark bluish-green powder

Solubility · 3 Einträge

Soluble (>=10 mg/ml at 70 °F) (NTP, 1992)

ONE G DISSOLVES IN 20 ML WATER @ 20 °C; PARTLY SOL IN ALCOHOL

30 mg/ml in water; 30 mg/ml in 2-methoxyethanol; 7 mg/ml in ethanol

Physical Description · 3 Einträge

Sulfan blue is a dark greenish-black powder. (NTP, 1992)

Liquid; Wet Solid

Violet or dark bluish-green solid; [HSDB] Violet powder; [MSDSonline]

Other Experimental Properties · 3 Einträge

A 2% AQ SOLN SHOWED A DEPRESSION OF SURFACE TENSION OF WATER OF 38.5% @ 37 °C

DILUTE AQ SOLN ARE BLUE & TURN YELLOW UPON ADDITION OF CONCN HYDROCHLORIC ACID; IN ABSENCE OF STRONG ACID OR CAUSTIC THE BLUE COLOR IS STABLE OVER WIDE PH RANGE

C.I. Acid Blue 1 displays acid-base-indicator properties, turning orange in the presence of concentrated hydrochloric acid and deep blue when sodium hydroxide is added.

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 91.8% (2068 of 2253) of all reports.

Not Classified

Aggregated GHS information provided per 2253 reports by companies from 7 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt, sodium salt

Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, sodium salt (EC: 204-934-1)

Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available; it is probably combustible. (NTP, 1992)
Hazards SummaryMay cause irritation; May be harmful if swallowed; IARC not classifiable; [MSDSonline]
Reactive GroupSalts, Basic
Special Reports

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

IT IS OF SOME INTEREST THAT SEVERAL DYES RELATED TO PARAROSANILINE, WHICH INCLUDES BLUE VRS, EXHIBIT GENOTOXICITY & THAT THIS ACTIVITY IS CORRELATED WITH THE PRESENCE OF A SUBSTITUTED OR UNSUBSTITUTED AMINO GROUP AT THE R3 POSITION PARA TO THE N+ AMINO GROUP. THUS PATENT BLUE IS INACTIVE. THIS DYE INSTEAD HAS SULFONIC GROUPS IN THIS POSITION WHICH MAY INTERFERE WITH ACTIVATION AT THE N+ ATOM.

MeSH Pharmacological ClassificationChemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.

Verwendung und Herstellung

Uses · 6 Einträge

Used as dye (medicinal products, wool, silk, leather, jute, paper, phenol-formaldehyde resins, milled soaps, inks, methylated spirit wash, casein, and lymphography) and biological stain; [HSDB]

Formerly used as a food dye (not currently permitted for use in food in the US, Japan, or EU, but is reportedly still used in some countries); Accepted for use in cosmetics not in contact with mucous membranes; [HSDB]

Pulp and Paper Processing [Category: Industry]

COLORING MEDICINAL PRODUCTS

USED TO DYE WOOL, SILK, LEATHER, JUTE; TO STAIN PAPER, TO COLOR PHENOL-FORMALDEHYDE RESINS, MILLED SOAPS; TO COLOR INKS & METHYLATED SPIRIT WASH, MASS COLORATION OF CASEIN; AS A BIOLOGICAL STAIN; HEAVY METAL SALTS OF THE FREE ACID ARE USED AS PIGMENTS; ALUMINUM SALTS USED TO COLOR PHARMACEUTICALS

FOOD DYE (REPORTED NON-U.S. USE)

U.S. Imports · 2 Einträge

(1979) 3.98X10+6 GRAMS (PRINCPL CUSTMS DISTS)

(1981) 4.49X10+6 GRAMS (PRINCPL CUSTMS DISTS)

U.S. Production · 3 Einträge

2022: 62 lb

(1978) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) NOT PRODUCED COMMERCIALLY IN U.S.

Consumer Uses

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
FH1929ICIT
EC Number
204-934-1、608-505-3

Physikochemische Eigenschaften

Schmelzpunkt
200 °C · 200 °C
NEWTON DW ET AL; EVALUATION OF PREPN OF PATENT BLUE (ALPHAZURINE 2G) DYE FOR PARENTERAL USE; AM J HOSP PHARM 32(SEPT) 912 (1975). PATENT BLUE DYE WAS STUDIED WITH REGARD TO MEDICATION ORDERS WHICH MAY BE PREPARED BY HOSPITAL PHARMACISTS.
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesNot Classified

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material may be controlled using a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Disposal Methods · 1 Eintrag

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 15(SRC), determined from a measured water solubility(2) and a recommended regression-derived equation(3), indicates that C.I. Acid Blue 1 will have very high mobility in soil(SRC). Due to the ionic nature of C.I. Acid Blue 1, the retention of the dye by ion-exchange processes(4,SRC), particularly on clay surfaces, and adsorption at mineral surfaces such as geothite(5,SRC), may slow down or prevent leaching(SRC). As C.I. Acid Blue 1 is an ionic compound, volatilization of this compound will not be important from moist soil surfaces(4,SRC).

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 15(SRC), determined from a measured water solubility(2) and a recommended regression-derived equation(1), indicates that C.I. Acid Blue 1 should not adsorb to suspended solids and sediment in water(SRC). However, due to the ionic nature of C.I. Acid Blue 1, the retention of the dye by ion-exchange processes(3,SRC), particularly on clay surfaces, and adsorption at mineral surfaces such as geothite(4,SRC), may lead to increased adsorption on some surfaces(SRC). As C.I. Acid Blue 1 is an ionic compound, volatilization from water surfaces is not expected(3,SRC). According to a classification scheme(5), an estimated BCF value of 2(1,SRC), from a measured water solubility(2), suggests that bioconcentration in aquatic organisms is low(SRC).

ATMOSPHERIC FATE: The ionic state of C.I. Acid Blue 1 makes this compound essentially non-volatile(1,SRC); therefore, this compound should exist in the particulate phase in the ambient atmosphere. Particulate-phase C.I. Acid Blue 1 may be physically removed from the air, mainly by wet deposition(SRC).

Effluent ConcentrationsCI ACID BLUE DYE (ORIGINATING FROM GERMICIDE BLOCKS IN TOILET RESERVOIRS) RECOVERED FROM FILTERED SEWAGE.
Soil Adsorption/Mobility · 1 Eintrag

The Koc of C.I. Acid Blue 1 is estimated as approximately 15(SRC), using a measured water solubility of 30,000 mg/l(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that C.I. Acid Blue 1 has very high mobility in soil(SRC). Due to the ionic nature of the dye, the retention of C.I. Acid Blue 1 by ion-exchange processes(4,SRC), particularly on clay surfaces and adsorption at mineral surfaces such as geothite(5,SRC), may slow down or prevent leaching(SRC).

Human Toxicity Excerpts · 5 Einträge

DRUG HYPERSENSITIVITY ON PATIENTS BEING TESTED BY SKIN-PRICK & RECEIVING LYMPHOGRAM.

A CASE OF AN ALLERGIC REACTION TO PATENT BLUE VIOLET DYE USED FOR THE PURPOSE OF LYMPHANGIOGRAPHY IS REPORTED. SYMPTOMS WERE URTICARIAL REACTION, EDEMA OF THE EYELIDS & LIPS, AND HYPOTENSION.

Immediate reactions to patent blue dye /is presented/.

sensitivity to patent blue dye during skin prick testing and lymphography. A retrospective and prospective study.

For more Human Toxicity Excerpts (Complete) data for C.I. FOOD BLUE 3 (7 total), please visit the HSDB record page.

Artificial Pollution Sources · 1 Eintrag

C.I. Acid Blue 1's production and use as a dye for wool, silk, leather, and jute, as a paper stain, to color phenol-formaldehyde resins, milled soaps, inks, and casein, as a biological stain(1) and to color medicinal products(2) may result in its release to the environment through various waste streams(SRC).

Carcinogen Classification · 5 Einträge

Blue VRS

Group 3: Not classifiable as to its carcinogenicity to humans

Volume 16: (1978) Some Aromatic Amines and Related Nitro Compounds – Hair Dyes, Colouring Agents and Miscellaneous Industrial Chemicals

1987

1987

Environmental Bioconcentration · 1 Eintrag

An estimated BCF value of 2 was calculated for C.I. Acid Blue 1(SRC), using a measured water solubility of 30,000 mg/l(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/SoilSince C.I. Acid Blue 1 is an ionic compound, volatilization from water and moist soil surfaces will not be important(1,SRC).
Non-Human Toxicity Excerpts · 5 Einträge

GROUP OF 10 MALE & 10 FEMALE 5-WK-OLD WISTAR RATS RECEIVED WEEKLY SC INJECTIONS OF 0.5 ML OF 4% SOLN OF BLUE VRS (PURITY NOT GIVEN) IN ISOTONIC SALINE FOR 45 WK (TOTAL DOSE 900 MG). ... 2 FEMALES DEVELOPED RHABDOMYOSARCOMAS IN AREA OF INJECTION SITE. IN 20 CONTROL ANIMALS /8 ALIVE @ 71 WK/, NO INJECTION-SITE TUMORS SEEN.

SHELL OR CARWORTH FARM E ALBINO RATS OF BOTH SEXES, WEIGHING 100-150 G, WERE GIVEN TWICE WEEKLY SC INJECTIONS OF EITHER 0.5 ML OF 2% SOLN (20 RATS) OR 1 ML OF 1% AQ SOLN (65 RATS) OF BLUE VRS (82% PURE) FOR 55 OR 72 WK, RESPECTIVELY. 6 OUT OF 19 & 8/60 RATS DEVELOPED SARCOMAS AT SITE OF REPEATED INJECTIONS.

TWENTY RATS RECEIVED TWICE WEEKLY SC INJECTIONS OF 0.5% ML OF A 2% AQ SOLN OF THE DYE FOR 65 WK, BUT INJECTIONS WERE DISTRIBUTED AMONG 4 SC SITES IN TURN (DORSAL TO THE SCAPULAE & IN THE LUMBAR REGION). AT 81 WK, NO SARCOMAS OBSERVED IN THESE RATS AT ANY OF THE INJECTION SITES.

...20 MALE & 20 FEMALE 10-WK-OLD WISTAR RATS RECEIVED WEEKLY INJECTIONS OF 0.4 ML OF 4% ...(FOOD GRADE) IN 0.9% SALINE INTO POSTERIOR THIGH MUSCLES OF THE RIGHT LEG. ...5/19 MALES & 9/18 FEMALES DEVELOPED RHABDOMYOSARCOMAS @ INJECTION SITE. ... METASTASES OCCURRED IN LYMPH NODES, LUNGS & LIVER. /NONE/ IN CONTROLS.

For more Non-Human Toxicity Excerpts (Complete) data for C.I. FOOD BLUE 3 (13 total), please visit the HSDB record page.

Evidence for CarcinogenicityNo data are available in humans. Limited evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 3: The agent is not classifiable as to its carcinogenicity to humans.
Probable Routes of Human Exposure · 1 Eintrag

NIOSH (NOES Survey 1981-1983) has statistically estimated that 62,878 workers (9626 of these are female) are potentially exposed to C.I. Acid Blue 1 in the US(1). Occupational exposure may be through inhalation of dusts and dermal contact with this compound at workplaces where C.I. Acid Blue 1 is produced or used(2,SRC). The general population may be exposed to C.I. Acid Blue 1 via ingestion of pharmaceuticals and dermal contact with products containing C.I. Acid Blue 1(SRC).

Environmental Water ConcentrationsTHE OCCURRENCE AND FATE OF TRIPHENYLMETHANE BLUE DYES INCLUDING PATENT BLUE V DYE IN THE AQUATIC ENVIRONMENT WERE STUDIED.

Sicherheitsdaten

wgk
3
Not Known or Reasonably Ascertainable
Methods of Manufacturing · 2 Einträge

BY CONDENSING 4-FORMYLBENZENE-1,3-DISULFONIC ACID WITH DIETHYLANILINE

Disodium benzaldehyde-2,4-disulphonate + N,N-diethylaniline (carbonyl condensation/oxidation)

Formulations/Preparations · 1 Eintrag

A grade of C.I. Acid Blue 1 produced in the UK has the following specifications: dye content, 82% min.; volatile matter (at 135 °C), 6% max.; water-insoluble matter, 0.2% max.; subsidiary dye content, 5% max.; sodium chloride and sulfate, 10% max.; arsenic, 1 mg/kg; lead, 10 mg/kg; copper, 10 mg/kg; chromium, 20 mg/kg.

Household ProductsInformation on 2 consumer products that contain C.I. Food Blue 3 (C.I. 42045) in the following categories is provided:
Use Classification · 3 Einträge

Food Additives -> COLOUR -> JECFA Functional Classes

Food Additives -> COLOUR -> JECFA Functional Classes

Cosmetics -> Hair dyeing; Cosmetic colorant

General Manufacturing Information · 5 Einträge

Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, inner salt, sodium salt (1:1): ACTIVE

PHYSICOCHEMICAL DATA FOR PATENT BLUE VIOLET (PATENT BLUE V) DYE IN VARIOUS AQ & ORGANIC SOLVENTS.

OFFICIAL IN THE BRITISH PHARMACEUTICAL CODEX. A STOCK SOLN CONTAINING 0.06% GIVES A SUITABLE BLUE COLOR IN A CONCN OF 15 ML/L. TO OBTAIN A GREEN STOCK SOLN MIX 0.3% SULPHAN BLUE WITH 0.3% TARTRAZINE IN WATER.

BLUE VRS WAS USED IN THE PAST AS A FOOD DYE; HOWEVER, IT DOES NOT APPEAR ON ANY CURRENT LISTS OF DYES PERMITTED FOR USE IN FOOD IN US, JAPAN OR EUROPEAN ECONOMIC COMMUNITIES. IT IS PROVISIONALLY ACCEPTED FOR USE IN COSMETICS IN WHICH IT DOES NOT COME INTO CONTACT WITH MUCOUS MEMBRANES.

STUDY WAS CONDUCTED TO SUGGEST ADDITIONAL INDICATOR SUBSTANCES FOR THE TECHNIQUE OF ANGIOGRAPHY OF THE RETINAL AND CHOROIDAL VASCULATURES. CONCLUSION WAS THAT PATENT BLUE VF IS PROMISING SINCE ITS LD50 EXCEEDS 1000 MG/KG.

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陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
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