溴百里酚蓝

Description

Bromothymol Blue · CAS 76-59-5 · C27H28Br2O5S. UNII VGU4LM0H96. LogP: 2.78.

Identification

CAS Registry Number	76-59-5
PubChem CID	6450
Molecular formula	C27H28Br2O5S
IUPAC name	2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
UNII (FDA)	VGU4LM0H96

Computed Descriptors

Molecular Weight	624.4
XLogP3	7.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	624.00037
Monoisotopic Mass	622.00242
Topological Polar Surface Area	92.2
Heavy Atom Count	35
Formal Charge	0

Physical & Chemical Properties

LogP	2.78

Physical description & handling notes

• Odorless white to cream-colored solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetic colorant
GHS notification summary	77.8% (7 / 9)

GHS Hazard Classification

GHS notification summary	77.8% (7 / 9)
Reported hazard statements	H302 (11.1%), H315 (11.1%), H319 (11.1%)

Documented Uses

• A sulfonphthalein dye used as a pH indicator; [CHEMINFO] Used as a pH indicator for the pH range of 5.8-7.6 and 10.2-11.8; [Ullmann]
• Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-: ACTIVE
• Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.

Synonyms

Bromothymol blue; 76-59-5; BROMTHYMOL BLUE; Dibromothymolsulfophthalein; Dibromothymolsulfonphthalein; VGU4LM0H96; DTXSID3058799; NSC7819; NSC-7819; CHEBI:86155; Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-, S,S-dioxide; Blue, Bromthymol; Blue, Bromothymol; Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide; RefChem:121663; DTXCID9047831

Frequently Asked Questions

What are the CAS number and molecular formula of Bromothymol Blue?

CAS 76-59-5; molecular formula C27H28Br2O5S; molecular weight — g/mol.

What other names is Bromothymol Blue known by?

Bromothymol blue, 76-59-5, BROMTHYMOL BLUE, Dibromothymolsulfophthalein, Dibromothymolsulfonphthalein, VGU4LM0H96.

What is the regulatory status of Bromothymol Blue?

Documented regulatory listings: CIR / INCI: Cosmetic colorant.

Is Bromothymol Blue classified as hazardous?

77.8% of GHS notifications report no hazard classification (7 of 9).

What are the key physical properties of Bromothymol Blue?

LogP: 2.78.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.