Tetrabromophenol blue

HCID 78159

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Basic information

CAS: 4430-25-5
Standard 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
Molecular formula: C19H6Br8O5S
Average molar mass: 985.5 g/mol
Monoisotopic mass: 977.34029109

Overview

Tetrabromophenol blue is a member of benzofurans.

Names & identifiers

Preferred name: Tetrabromophenol blue
IUPAC: 2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
English name: Tetrabromophenol Blue
Molecular formula: C19H6Br8O5S
Molecular weight: 985.54

Names & synonyms

Tetrabromophenol blue4430-25-54,5,6,7-Tetrabromo-3,3-bis(3,5-dibromo-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxideC19H6Br8O5STetrabromphenol tetrabromsulfonphthaleinTetrabromophenol blue, INDTetrabromphenolblauMFCD00005876Tetrabromophenyl blueNSC11236Phenol,4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol

Show more names

TetrabromophenoLTetrabromophenol blue ,85%Tetrabromophenol Blue, pure3,3',3NSC 11236TETRABROMPHENOLBLUETetrabromophenol BluTetrabromophenol Blue,IndTetrabromophenol Blue >

S6FO6931N7NSC-11236Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-TetrabromophenoltetrabromosulfophthaleinTetrabromophenol blue pound TBPB pound(c)PHENOL, 4,4'-(4,5,6,7-T4,4'-(4,5,6,7-Tetrabromo-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromophenol) S,S-dioxide

Database identifiers

CAS: 4430-25-5
PubChem CID: 78159
DTXSID: DTXSID9063451
ChEBI: CHEBI:176933
UNII: S6FO6931N7
EC Number: 224-622-9

Properties

Computed structural properties

XLogP: 8.8
Topological polar surface area: 92.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 33
Formal charge: 0
Complexity: 791

Experimental & physicochemical properties

CosmeticsCosmetic ingredients (Tetrabromophenol Blue) -> CIR (Cosmetic Ingredient Review)

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point: 204 °C · 204 °C (dec.)(lit.)
Boiling point: 728.8 · 728.8±60.0 °C(Predicted)
Density: 2.668 · 2.668±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in water, ethanol, methanol, acetone, acetic acid
pka: 3.69 · 3.69(at 25℃)
form: Powder
color: Beige
PH Range: Yellow (3.0) to blue (4.6)
Water Solubility: soluble
λmax: 610 nm, · 610nm, 388nm
ε(extinction coefficient): 55000 at · ≥55000 at 606-616nm in ethanol and water
BRN: 378438 · 378438
Major Application: 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
Cosmetics Ingredients Functions: 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 DataBase Reference: 4430 · 4430-25-5
EWG's Food Scores: 1 · 1
FDA UNII: 6 FO6931N7 · S6FO6931N7
EPA Substance Registry System: 4 · Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo- (4430-25-5)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (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 information

Hazard Classes and CategoriesEye Dam. 1 (97.4%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

UsesCIR ingredient: Tetrabromophenol Blue

General Manufacturing InformationPhenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-: ACTIVE

Applications

UsesTetrabromophenol 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.

Upstream & downstream products

Upstream raw materials

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: Tetrabromophenol blue is a member of benzofurans.

Related reactions

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