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6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid | CAS No. 7277-87-4

6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid

Basic Information

Chemical_Structure_Of
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CAS Number

7277-87-4

Molecular Formula

C14H12N2O7S2

Molecular Weight

384.39 g/mol

AD

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

Basic Physical Properties

Boiling Point

°Cat760mmHg

Density

1.75

Refractive Index

1.737

SMILES

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CC1=NN(C(=O)C1)C2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O7S2/c1-8-4-14(17)16(15-8)10-2-3-12-9(5-10)6-11(24(18,19)20)7-13(12)25(21,22)23/h2-3,5-7H,4H2,1H3,(H,18,19,20)(H,21,22,23)

InChIKey

FDUGPNDWCQRTAP-UHFFFAOYSA-N

LogP

1.4458000000000002

Topological Polar Surface Area

141.41000000000003 Ų

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

794

Synonyms & References

English

  • SCHEMBL13461208
  • 6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,3-disulphonic acid
  • 6-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-1,3-naphthalenedisulfonic acid
  • DTXSID1064611
  • NS00037402
  • CS-0455302
  • FT-0655591
  • MFCD00044033
  • 6-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)naphthalene-1,3-disulfonic acid
  • AC-4809
  • 6-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)naphthalene-1,3-disulfonic acid
  • LS-06366
  • 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
  • 7277-87-4
  • AKOS004912540
  • N-[3-(DIMETHYLAMINO)-2-(2-PROPENYLOXY)PHENYL]-N-ETHYLACETAMIDE
  • W-104480
  • HMS636J10
  • 1,3-Naphthalenedisulfonic acid, 6-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
  • Amino J pyrazolone
  • EINECS 230-692-1
  • NRX9YC72JM
  • 6-(4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL)-1,3-NAPHTHALENEDISULFONIC ACID
  • ChemDiv1_017456
  • 6-(3-methyl-5-oxo-4H-pyrazol-1-yl)naphthalene-1,3-disulfonic acid
  • 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid
  • 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)naphthalene-1,3-disulfonic acid
  • 6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)naphthalene-1,3-disulfonic acid
  • AMINO J PYRAZOLONE
  • AMINO-J-PYRAZOLE
  • 1,3-Naphthalenedisulfonicacid, 6-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI,8CI)

MDL Number

MFCD00044033

FAQ

What regulatory guidelines apply to 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4)?
The regulatory guidelines for 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4) include GHS classification, REACH regulations, FDA and EPA requirements. It is classified as a skin and eye irritant according to GHS. In the context of REACH, it may fall under categories that require registration, and compliance with FDA and EPA guidelines is necessary for its use in food contact applications and environmental releases.

Are there alternatives to 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4) in synthesis?
In synthesis, alternatives to 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4) may include related sulfonic acid derivatives or other naphthalenedisulfonic acid analogs. Common alternative reagents include 1,3-dimethyl-2,4-dinitrobenzene or other suitable naphthalene derivatives, which can be used as precursors for similar functional groups.

What is the market or research trend for 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4)?
The market and research trends for 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4) are primarily focused on its use in analytical chemistry and as an intermediate in the synthesis of dyes and pigments. Research trends include exploring its applications in electrochemistry and as a pH indicator. Market demand is influenced by the increasing demand for sophisticated analytical tools and tunable pH indicators in various industries.

How should waste containing 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4) be handled?
Waste containing 6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid (CAS: 7277-87-4) should be collected in sealed containers and disposed of via incineration or professional waste disposal services. Environmental protection precautions include ensuring the waste is neutralized to prevent environmental contamination. Compliance with local and national waste management regulations is essential for safe disposal.

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Supplier Information

6-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 7277-87-4

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Shanghai Hansi Chemical Co., Ltd.

CAS Number: 7277-87-4

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JACS- ZhengZhouJieKeSiHuaGongChanPin Co Ltd

CAS Number: 7277-87-4

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Shanghai Jieshukai Biotechnology Co., Ltd.

CAS Number: 7277-87-4

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Shandong International Cooperation Joint Venture Company

CAS Number: 7277-87-4

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Haining Tongyuan Chemical Factory (formerly Haiyan County Dye Factory)

CAS Number: 7277-87-4

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HuBeiJuLongTangShengWuHuaXue Co Ltd

CAS Number: 7277-87-4

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