4,4'-(4,5,6,7-Tetrabrom-3H-2,1-benzoxathiol-3-yliden)bis[2,6-dibromphenol]-S,S-dioxid

TetrabromophenoL · Tetrabromophenol blue ,85% · Tetrabromophenol Blue, pure · 3,3',3 · NSC 11236 · TETRABROMPHENOLBLUE · Tetrabromophenol Blu · TETRABROMOPHENOL BLUE

https://huagongshe.com/de/chemical/78159

Molekülstruktur von 4,4'-(4,5,6,7-Tetrabrom-3H-2,1-benzoxathiol-3-yliden)bis[2,6-dibromphenol]-S,S-dioxid

Identifikatoren & physikalische Daten

CAS No.	4430-25-5
Summenformel	C19H6Br8O5S
Durchschnittliche Molmasse	985,5 g/mol
Monoisotopische Masse	977,34029109 g/mol
SMILES	O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2c(Br)c(Br)c(Br)c(Br)c21
InChIKey	QPMIVFWZGPTDPN-UHFFFAOYSA-N
PubChem CID	78159
ChEBI	CHEBI:176933
EC No.	224-622-9
DTXSID	DTXSID9063451
Lokaler Name	4,4'-(4,5,6,7-Tetrabrom-3H-2,1-benzoxathiol-3-yliden)bis[2,6-dibromphenol]-S,S-dioxid

Chemische & physikalische Eigenschaften

XLogP	8,8
Polarare Oberfläche (TPSA)	92,2
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	33
Formalladung	0
Komplexität	791
Kosmetika	Cosmetic ingredients (Tetrabromophenol Blue) -> CIR (Cosmetic Ingredient Review)
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	204 °C (dec.)(lit.)
Siedepunkt	728.8±60.0 °C(Predicted)
Dichte	2.668±0.06 g/cm3(Predicted)
Lagerbedingungen	Inert atmosphere,Room Temperature
Löslichkeit	Soluble in water, ethanol, methanol, acetone, acetic acid
pKa (Säurekonstante)	3.69(at 25℃)
Aggregatzustand	Powder
Farbe	Beige
BRN	378438
Hauptanwendungen	Semiconductors, thin films, recording materials, chemically amplified resists, photography, lithographic plates, inks, toners, detergents, hair dyes, diapers, detecting proteins, contact lens, urine analysis test strips, distinguishing between allergies and infections
Kosmetik-Inhaltsstoffe Funktionen	HAIR DYEING
InChI	1S/C19H6Br8O5S/c20-7-1-5(2-8(21)16(7)28)19(6-3-9(22)17(29)10(23)4-6)11-12(24)13(25)14(26)15(27)18(11)33(30,31)32-19/h1-4,28-29H
InChIKey	QPMIVFWZGPTDPN-UHFFFAOYSA-N
SMILES	Oc1c(Br)cc(cc1Br)C2(OS(=O)(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4cc(Br)c(O)c(Br)c4
CAS Datenbank	4430-25-5
EPA chemische Informationen	Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo- (4430-25-5)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH318 (97.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Eye Dam. 1 (97.4%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29349990
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Tetrabromophenol Blue (CAS# 4430-25-5) is an acid-sensitive, organic dye. Tetrabromophenol Blue has been used in the preparation of radiation-sensitive indicators based on poly(vinyl alcohol). Dyes and metabolites.