6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

Basic Information

View in Editor

CAS Number

475-80-9

Molecular Formula

C16H9NO6

Molecular Weight

311.24 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

Yellow powder

Melting Point

Not available

Boiling Point

592.2±50.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Flash Point

181.0±23.7 °C

Solubility

Methanol; Acetone

SMILES

View in Editor

C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)

InChIKey

MEEXETVZNQYRSP-UHFFFAOYSA-N

LogP

3.85130

Complexity

505

Safety Information

View Safety Information

Hazard Class

Class 6.1(b) Class 6.1(b)

Storage Conditions

2-8℃

Synonyms & References

English

Q2548975
CCRIS 6497
NS00031707
5-19-07-00425 (Beilstein Handbook Reference)
475-80-9
AristolochicacidB
6-nitro-phenanthro-[3,4-d]-1,3-dioxole-5-carboxylic acid
HY-N0511
CS-0009051
UNII-BB72D5PU2Y
1ST40181
DTXSID00197166
AS-78438
FT-0622473
6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
Aristolochic acid II , HPLC Grade
BDBM50306854
AKOS015889601
BB72D5PU2Y
BRN 0329754
A904448
EINECS 207-499-6
CHEBI:194149
DTXCID10119657
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-
Aristolochic acid II
Aristolochic acid B, >=97% (HPLC)
Aristolochic acid B
GOR
10-Nitro-3,4-(epoxymethanoxy)phenanthrene-1-carboxylic acid
6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

MDL Number

MFCD01708574

FAQ

What are the physical and chemical properties of 6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 475-80-9)?

6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid is a crystalline solid with a molecular weight of approximately 287.09 g/mol. It is slightly soluble in water and ethanol. The compound is reactive towards nucleophiles and can undergo electrophilic aromatic substitution. It is stable under normal conditions but should be stored in a cool, dry place away from moisture and heat.

How is 6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 475-80-9) typically synthesized?

6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid can be synthesized via a multi-step procedure involving nitration of the corresponding phenanthrene derivative followed by subsequent oxidation and deoxygenation steps. The reaction typically requires a strong acid catalyst and is performed under carefully controlled conditions to achieve high selectivity and yield.

What industries use 6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 475-80-9)?

6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid finds applications in the pharmaceutical industry for the synthesis of various drugs and intermediates. It is also used in the polymer industry for the development of functional materials and in the semiconductor industry for specific applications requiring precise molecular structures.

What precautions should be taken when handling 6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid (CAS: 475-80-9)?

When handling 6-Nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. The substance should be used in a well-ventilated area or a fume hood. In the event of a spill, immediate clean-up is necessary, and the spill site should be decontaminated. Always refer to the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) for detailed safety information.