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Bromothymol blue

Bromothymol blue structure

CAS No:
76-59-5
Formula:
C27H28Br2O5S
Chemical Name:
Bromothymol blue
Synonyms:
Phenol,4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-;Bromothymol blue;Thymol,6,6′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-,S,S-dioxide;Phenol,4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-,S,S-dioxide;3H-2,1-Benzoxathiole,phenol deriv.;4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)phenol];3,3′-Dibromothymolsulfonphthalein;Dibromothymolsulfophthalein;Bromthymol blue;3,3′-Dibromothymolsulfophthalein;NSC 7819;Bromothymolsulfonephthalein;519-49-3;27459-90-1;392711-47-6;734522-99-7;187674-42-6;1007629-44-8;1017792-00-5;1020714-56-0;1190126-34-1;1202965-59-0
Categories:
Cosmetic Ingredient > Cosmetic Colorant

Description

Bromothymol Blue is a pH indicator.

Bromothymol blue is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl groups. It has a role as an acid-base indicator, a dye and a two-colour indicator. It is a 2,1-benzoxathiole, an arenesulfonate ester, an organobromine compound, a polyphenol and a sultone.|Bromthymol Blue is a dye used as an indicator in determining pH. Bromthymol blue is a weak acid. It can be in acid or base form, depending on the pH of the solution. This reagent is yellow in acidic solutions, blue in basic solutions and green in neutral solution.|A pH sensitive dye that has been used as an indicator in many laboratory reactions.

Bromothymol blue Basic Attributes

Molecular Weight：

624.38

Exact Mass：

624.38

BRN：

373934

EC Number：

200-971-2

UNII：

VGU4LM0H96

NSC Number：

7819

DSSTox ID：

DTXSID3058799

NCI Thesaurus Code：

C47423

HScode：

29349990

Characteristics

PSA：

92.2

XLogP3：

8.60

Appearance：

Pink-brown to purple Solid

Density：

1.5±0.1 g/cm3

Melting Point：

201 °C

Boiling Point：

614.3±55.0 °C at 760 mmHg

Flash Point：

38 °C

Refractive Index：

1.634

Water Solubility：

Solubility Sparingly soluble in water, benzene; soluble in ethanol, ether; insoluble in petroleum ether

Storage Conditions：

Store at RT.

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1170

wgk germany：

hazard class code：

10-41-36/37/38-20/21/22

safety instructions：

24/25-39-26-36

RTECS Number：

SJ450000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 8 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Chemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS. (See all compounds classified as Coloring Agents.)|Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

MeSH Entry Terms：

Blue, Bromothymol

Bromothymol blue Use and Manufacturing

Uses

As indicator, pH 6.0 yellow; pH 7.6 blue.

Manufacturing Info：

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-: ACTIVE

Use Classification：

Cosmetics -> Cosmetic colorant

Computed Properties

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
Complexity:818
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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