Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate}

Basic Information

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CAS Number

12286-66-7

Molecular Formula

C34H30CaN8O14S2

Molecular Weight

460.47 g/mol

EINECS

235-558-6

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

>335°C

Density

1.58[at 20℃]

Water Solubility

16μg/L at 20℃

SMILES

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Cc1c(cccc1)NC(=O)C(/N=N/c2c(cc(cc2)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)C.Cc1c(cccc1)NC(=O)C(/N=N/c2c(cc(cc2)S(=O)(=O)[O-])[N+](=O)[O-])C(=O)C.[Ca+2]

InChI

InChI=1S/2C17H16N4O7S.Ca/c2*1-10-5-3-4-6-13(10)18-17(23)16(11(2)22)20-19-14-8-7-12(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2/b2*20-19+;

InChIKey

HHIWXOJCMNFRBW-FFRZOONGSA-L

LogP

0.04 at 23℃

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

calcium,4-[[4-(2-methylanilino)-2,4-dioxobutyl]diazenyl]-3-nitrobenzenesulfonate
Fast Yellow FW
C.I. Pigment Yellow 62
Bis[4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulfonic acid]calcium salt
C.I. 13940
Pigment Yellow 62
calcium bis[4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
Benzenesulfonic acid, 4-1-(2-methylphenyl)aminocarbonyl-2-oxopropylazo-3-nitro-, calcium salt (2:1)
13940
4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropylo]azo]-3-nitro-Benzenesulfonic acid, calcium(2:1)
C.I.Pigment Yellow 62
calcium 3-nitro-4-[1-(o-tolylcarbamoyl)-2-oxo-propyl]azo-benzenesulfonate
calcium bis{4-[(E)-{4-[(2-methylphenyl)amino]-2,4-dioxobutyl}diazenyl]-3-nitrobenzenesulfonate}
Irgalite Yellow WSR
P.Y.62
Calcium bis[4-[[1-[[(2-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]

MDL Number

MFCD13195591

EC Number

235-558-6

Customs Code

3204170000

FAQ

What are the physical and chemical properties of Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7)?

Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} is a crystalline compound with a molecular weight of approximately 666.1 g/mol. It is slightly soluble in water and more soluble in organic solvents. Chemically, it is highly reactive, particularly in the diazenyl group, and can undergo various transformations with suitable reagents. Its properties make it useful in spectroscopic studies and as a reagent in organic synthesis.

How is Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7) typically synthesized?

Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} is synthesized through multi-step procedures involving diazotization, coupling, and diazenylation reactions. The synthesis typically requires careful control of reaction conditions, including temperature and pH, and often involves the use of catalysts to enhance yield and selectivity. Detailed protocols are available in the literature.

What industries use Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7)?

Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} is used in various industries. It plays a role in pharmaceuticals as an intermediate in drug synthesis, in polymers for its unique reactivity, and in sensors for its potential as a chemical probe. Its properties also make it relevant in the semiconductor industry for specific applications.

What precautions should be taken when handling Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7)?

Proper handling of Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} requires the use of personal protective equipment (PPE) including gloves, goggles, and lab coats. Work should be conducted in a fume hood to minimize exposure. Spills should be handled with appropriate absorbents, and the material safety data sheet (MSDS) should be referenced for specific guidelines. Always follow safety protocols and consult with a chemist for detailed handling instructions.

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Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} | CAS No. 12286-66-7

Basic Information

CAS Number

Molecular Formula

Molecular Weight

EINECS

Chemical Classification

Basic Physical Properties

Melting Point

Density

Water Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

EC Number

Customs Code

FAQ

What are the physical and chemical properties of Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7)?

How is Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7) typically synthesized?

What industries use Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7)?

What precautions should be taken when handling Calcium bis{4-[(E)-{1-[(2-methylphenyl)amino]-1,3-dioxo-2-butanyl}diazenyl]-3-nitrobenzenesulfonate} (CAS: 12286-66-7)?

Related Compounds

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