10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

Basic Information

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CAS Number

4849-90-5

Molecular Formula

C16H9NO7

Molecular Weight

327.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Physical State

Orange powder

Melting Point

287-292ºC

Boiling Point

658.7 °C at 760 mmHg

Density

1.707

Flash Point

352.1 °C

Solubility

Methanol; Ethyl Acetate; DMF; Water containing soda

Refractive Index

1.82

SMILES

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C1OC2=C(O1)C3=C4C=C(C=CC4=CC(=C3C(=C2)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)

InChIKey

NBFGYDJKTHENDP-UHFFFAOYSA-N

LogP

3.55690

Complexity

535

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Aristolochic acid-IIIa
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic aicd, 10-hydroxy-6-nitro-
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 10-hydroxy-6-nitro-
AKOS040760132
10-hydroxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Aristolochic Acid IIIa
AS-77006
ARISTOLOCHICACIDC
AKOS015897115
FT-0662284
NS00094599
Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 10-hydroxy-6-nitro-
10-HYDROXY-6-NITRO-2H-PHENANTHRO[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID
4849-90-5
CS-0016891
BDBM50306858
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-hydroxy-6-nitro-
Aristolochic acid C
CHEMBL603494
HY-N1450
DTXSID00197540
10-hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
AC-34490
Aristolochiac acid C
CHEBI:194151
ARISTOLOCHIC ACID C(RG)
C16H9NO7
9100AF
Aristolochic acid IIIa

MDL Number

MFCD03093714

FAQ

What regulatory guidelines apply to 10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5)?

10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5) is regulated by the Globally Harmonized System (GHS) for classification and labeling of hazardous chemicals. It is also subject to REACH regulations in the European Union, where registrants must provide detailed information on its health and environmental impacts. In the United States, the FDA and EPA may require additional testing and documentation for its use in pharmaceuticals and industrial applications, respectively.

Are there alternatives to 10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5) in synthesis?

10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5) can be synthesized using various reagents and methods. Some alternatives include using 6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid with a different substituent at the 10-position, or utilizing other nitro-phenanthrene derivatives. These alternatives can offer similar functionality with varying reactivity and selectivity.

What is the market or research trend for 10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5)?

Research on 10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5) is primarily focused on its use as a starting material in organic synthesis and as a functional group for introducing additional substituents. Market trends indicate growing interest in its applications in pharmaceuticals and materials science, driven by its chemical versatility. However, due to its specific structure, it remains a niche compound.

How should waste containing 10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5) be handled?

Waste containing 10-Hydroxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 4849-90-5) should be collected and disposed of according to local and national regulations. For proper disposal, consider incineration at an authorized facility, or professional waste disposal services. Protective measures, such as gloves and safety glasses, should be worn during handling to prevent exposure. Ensure that all waste is neutralized before disposal to minimize environmental impact.