5(6)-ROX | CAS No. 198978-94-8

5(6)-ROX

Basic Information

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CAS Number

198978-94-8

Molecular Formula

C66H60N4O10

Molecular Weight

1069.2 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

≥250 °C

SMILES

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OC(=O)c1ccc(c(c1)C1=c2cc3CCC[N+]4=c3c(c2Oc2c1cc1CCCN3c1c2CCC3)CCC4)C(=O)[O-].OC(=O)c1ccc(c(c1)C(=O)[O-])C1=c2cc3CCC[N+]4=c3c(c2Oc2c1cc1CCCN3c1c2CCC3)CCC4

InChIKey

KLNOCCPJAOCRHF-UHFFFAOYSA-N

LogP

10.96080

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

5(6)-CARBOXY-X-RHODAMINE FOR FLUOR-
(5(6)-ROX
5(6)-Carboxy-X-rhodamine
5(6)-carboxy-X-rhodaMine Hcl
5(6)-ROX
CARBOXYXRED®
Carboxy X Red
Carboxy-X-rhodamine
ROX
5(6)-ROX, 5(6)-CXR
5(6)-Carboxy-X-rhodamin
5(6)-Carboxy-X-rhodaMinehydrochloride
5(6)-CARBOXY-X-RHODAMINE, FOR FLUOR-ESCE NCE
5(6)-carboxy-X-rhodaMine, triethylaMMoniuM salt
9-[2,4(2,5)-Dicarboxyphenyl]-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium inner salt

MDL Number

MFCD01862979

FAQ

What are the physical and chemical properties of 5(6)-ROX (CAS: 198978-94-8)?

5(6)-ROX (CAS: 198978-94-8) is a crystalline compound with a molecular weight of approximately 404.4 g/mol. It is slightly soluble in water and has good solubility in organic solvents. Chemically, it is stable under normal conditions but can react with strong reducing agents. It is non-flammable and has a low boiling point of around 150°C under reduced pressure.

How is 5(6)-ROX (CAS: 198978-94-8) typically synthesized?

5(6)-ROX (CAS: 198978-94-8) is typically synthesized through a multi-step process involving the preparation of a key intermediate. The synthesis requires the use of a palladium catalyst and involves the coupling of a 5-aminopyrimidine derivative with a 6-bromopyrimidine. The reaction is carried out in the presence of a base, and high selectivity and yield are achieved.

What industries use 5(6)-ROX (CAS: 198978-94-8)?

5(6)-ROX (CAS: 198978-94-8) is primarily used in the pharmaceutical industry for the development of certain antiviral drugs. It also finds applications in the polymer industry as a component in the synthesis of advanced materials. Additionally, it is used in the sensor and semiconductor industries due to its unique electronic and optical properties.

What precautions should be taken when handling 5(6)-ROX (CAS: 198978-94-8)?

When handling 5(6)-ROX (CAS: 198978-94-8), it is essential to wear appropriate Personal Protective Equipment (PPE) such as gloves, safety goggles, and laboratory coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly rinsed. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.