4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid | CAS No. 1316891-34-5

4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid

Basic Information

CAS Number

1316891-34-5

Molecular Formula

C18H17NO5S

Molecular Weight

359.4 g/mol

AD

Basic Physical Properties

Density

1.39±0.1 g/cm3 (20 ºC 760 Torr),

CC1=Nc2c(C1(C)Cc1ccc(cc1)C(=O)O)cc(cc2)S(=O)(=O)O

InChI

InChI=1S/C18H17NO5S/c1-11-18(2,10-12-3-5-13(6-4-12)17(20)21)15-9-14(25(22,23)24)7-8-16(15)19-11/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23,24)

InChIKey

NWJCQLOHSVQMMA-UHFFFAOYSA-N

LogP

3.2379000000000007

Topological Polar Surface Area

104.02999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Synonyms & References

English

  • 4-(2,3-Dimethyl-5-sulfo-3h-indol-3-yl)benzoic acid
  • 4-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)benzoic acid
  • 4-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)benzoic?acid

FAQ

What regulatory guidelines apply to 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5)?

The compound 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5) falls under GHS classification for health hazards, requiring proper labeling and safety data sheets. It must comply with REACH regulations in the EU, including registration, authorization, and restriction requirements. FDA and EPA regulations may apply for any commercial use, including proper disposal and handling to prevent environmental contamination.

Are there alternatives to 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5) in synthesis?

Alternatives to 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5) in synthesis include related indole derivatives or other aromatic carboxylic acids. Common substitutes include 2,3-dimethylindole or simpler sulfonic acid derivatives, which may be used depending on the specific reaction conditions and desired product.

What is the market or research trend for 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5)?

The market for 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5) is growing due to its applications in pharmaceuticals and organic synthesis. Research trends focus on its use as an intermediate in drug discovery and development. Market demand is increasing, with rising prices reflecting its scarcity and high demand in emerging research fields.

How should waste containing 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5) be handled?

Waste containing 4-(2,3-DiMethyl-5-sulfo-3H-indol-3-yl)benzoic acid (CAS: 1316891-34-5) should be collected in appropriate containers and disposed of through professional waste disposal services to ensure proper incineration or other safe disposal methods. Environmental precautions include adhering to local and international regulations to prevent contamination of soil and water sources.

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