Methylthymol blue sodium salt

Basic Information

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CAS Number

1945-77-3

Molecular Formula

C37H40N2Na4O13S

Molecular Weight

844.7 g/mol

EINECS

217-743-3

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Dark green to reddish-brown

Melting Point

252-256°C

Boiling Point

No data available

Density

1.4270

Water Solubility

Soluble in water (460 g/L) at 20°C.

Flash Point

No data available

Solubility

460g/l

Refractive Index

1.635

SMILES

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CC1=C(C=C(C(=C1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)[O-])CC(=O)[O-])C.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C37H44N2O13S.4Na/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47;;;;/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47);;;;/q;4*+1/p-4

InChIKey

DIZZDZCUMBBRSG-UHFFFAOYSA-J

LogP

4.99540

Complexity

1300

Safety Information

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Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)
Methylthymol Blue sodium salt, p.a., ACS reagent
Q27258002
sodium 2,2',2'',2'''-((((1,1-dioxido-3H-benzo[c][1,2]oxathiole-3,3-diyl)bis(6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetate
Methylthymol blue
3T592ZMB9H
Tetrasodium N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene)methylene))bis(N-(carboxylatomethyl)aminoacetate) S,S-dioxide
Methylthymol Blue, sodium salt
DTXSID80889451
METHYLTHYMOL BLUE TETRASODIUM SALT [MI]
Glycine, N,N'-(3H-2,1-benzoxathiol-3-ylidenebis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, S,S-dioxide, tetrasodium salt
n-methylthymol blue
Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium salt
NSC 74311
Glycine, N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-, tetrasodium salt
Methylthymol Blue sodium salt
Acetic acid,[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-isopropyl-2-methyl-m-phenylene)methylenenitrilo]]tetra-, S,S-dioxide, tetrasodium salt
ACETIC ACID,(3H-2,1-BENZOXATHIOL-3-YLIDENEBIS((6-HYDROXY-5-ISOPROPYL-2-METHYL-M-PHENYLENE)METHYLENENITRILO))TETRA-,S,S-DIOXIDE, TETRASODIUM SALT
FT-0628917
AMY22399
TETRASODIUM N,N'-(3H-2,1-BENZOXATHIOL-3-YLIDENEBIS((6- HYDROXY-5-ISOPROPYL-2-METHYLPHEN-3,1-YLENE)METHYLENE))BIS(N- (CARBOXYLATOMETHYL)AMINOACETATE) S,S-DIOXIDE
Methylthymol Blue Sodium Salt ACS grade
J-610054
MFCD00148905
1945-77-3
AKOS015903072
NSC-74311
Methylthymolblau
EINECS 217-743-3
UNII-3T592ZMB9H
Methylthymol Blue sodium salt, Dye content 70 %

MDL Number

MFCD00148905

EC Number

217-743-3

Customs Code

2934 99 90

FAQ

What regulatory guidelines apply to Methylthymol blue sodium salt (CAS: 1945-77-3)?

Methylthymol blue sodium salt (CAS: 1945-77-3) falls under the classification of a pH indicator, which means it is subject to various regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is categorized as a Type 1 indicator. In the EU, it is covered by REACH regulations. Additionally, it is regulated by the FDA for use in pharmaceuticals and the EPA for environmental protection.

Are there alternatives to Methylthymol blue sodium salt (CAS: 1945-77-3) in synthesis?

Yes, there are alternatives to Methylthymol blue sodium salt (CAS: 1945-77-3) in synthesis, such as bromothymol blue and phenol red. These alternatives offer similar pH indicators but may have different color ranges or stability in various pH conditions. Other substitutes include thymol blue and methyl orange, which can be used based on specific synthesis requirements.

What is the market or research trend for Methylthymol blue sodium salt (CAS: 1945-77-3)?

The market for Methylthymol blue sodium salt (CAS: 1945-77-3) is driven by its wide applications in pH measurement, laboratory testing, and pharmaceuticals. Research trends are focusing on developing more accurate and stable pH indicators for clinical and industrial use. Additionally, there is growing interest in green chemistry applications, where efforts are being made to reduce the environmental impact of pH indicators.

How should waste containing Methylthymol blue sodium salt (CAS: 1945-77-3) be handled?

Waste containing Methylthymol blue sodium salt (CAS: 1945-77-3) should be collected in suitable containers and disposed of through professional waste disposal services. Incineration is a common method, but it must be conducted in accordance with local regulations. Environmental protection precautions include ensuring that the waste does not contaminate water sources, and proper labeling of waste containers to avoid accidental exposure.