Bromocresol Green

HCID 6451CAS 76-60-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br
InChIKey
FRPHFZCDPYBUAU-UHFFFAOYSA-N
Molecular formula
C21H14Br4O5S
Average molar mass
698 g/mol
Monoisotopic mass
693.72954295

Overview

Bromocresolgreen is a member of benzofurans.

Names & identifiers

Preferred name
Bromocresol Green
IUPAC
2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol
English name
Bromocresol green
Molecular formula
C21H14Br4O5S
Molecular weight
698.01

Names & synonyms

Bromocresol green76-60-8BROMCRESOL GREENTetrabromo-m-cresolphthalein sulfone3',3'',5',5''-Tetrabromo-m-cresolsulfonephthaleinDTXSID90444598YGN0Y942MNSC-7817DTXCID7024459m-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, S,S-dioxidePhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-3-methyl-, S,S-dioxide
Show more names
GreenBCGBROMOCRESOL BLUEBROMOCRESOL GREEN INDICATORBROMOCRESOL GREEN SULTONE FORMBACILLUS OF CALMETTE AND GUERINγ-Sultonevertdebromocresoltetrabromo-m-cresolphthaleinsulfone
Green, BromcresolPhenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxideGreen, BromocresolTetrabromocresolsulfonphthalein3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^(6)-benzoxathiole-1,1-dione3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dionem-Cresol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxideRefChem:191

Database identifiers

CAS
76-60-8
PubChem CID
6451
DTXSID
DTXSID9044459
ChEMBL
CHEMBL145704
ChEBI
CHEBI:183839
UNII
8YGN0Y942M
EC Number
200-972-8

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
92.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
31

Experimental & physicochemical properties

Chemical ClassesDyes -> Indicator Dyes
CosmeticsCosmetic colorant
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point218.5 °C
Physical DescriptionOdorless, light yellow purple solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO]
Collision Cross Section217.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9044459]

Physicochemical properties

Melting point
225 °C · 225 °C (dec.) (lit.)
Density
0.79 g/mL · 0.79 g/mL at 20 °C
bulk density
350 kg/m3 · 350kg/m3
Flash point
12 °C · 12 °C
storage temp.
no restrictions.
solubility
Solubility Sparingly soluble in water; soluble in ethanol, ether, ethyl acetate

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 93.8% (15 of 16) of all reports.

Not Classified

Aggregated GHS information provided per 16 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide

Hazard Traits - Bioaccumulation; Environmental Persistence

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryDust may be irritating if inhaled; [CHEMINFO]
Hazard Classes and CategoriesNot Classified

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
rtecs
SJ7456000
ridadr
UN 1219 3/PG 2
hs_code
29349990

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

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 & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Uses & manufacturing

UsesA sulfonphthalein dye used as a pH indicator; [CHEMINFO] Used as a pH indicator for the pH range of 3.8-5.4; [Ullmann]
Use ClassificationCosmetics -> Cosmetic colorant
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-: ACTIVE
Applications · 3 items

UsesBromocresol Green is a pH sensitive indicator used in the growth medium for microorganisms and titrations. It is useful in various colorimetric detection studies and as an actively tracking dye for DNA agarose gel electrophoresis. It acts as an inhibitor of prostaglandin E2 transport protein. It is also used in TLC for visualizing compounds containing functional groups having pKa less than 5.

UsesBromocresol Green (BCG) is a pH sensitive triphenylmethane dye useful in a variety of colorimetric detection technologies. BCG is used as a tracking dye for DNA agarose gel electrophoresis, in protein determinations and in charge-transfer complexation processes. In TLC BCG is used for visualisation of the compounds with functional groups whose pKa is below 5.0.

UsesAs indicator, pH 3.8 yellow; pH 5.4 blue-green.

Upstream & downstream products

Suppliers50 total

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: Bromocresolgreen is a member of benzofurans.

Related reactions

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Linked notes

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