2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione

Basic Information

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CAS Number

104206-65-7

Molecular Formula

C14H10F3NO5

Molecular Weight

329.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

129-131°C

Boiling Point

486.2°C at 760 mmHg

Density

1.484

Flash Point

247.9°C

Solubility

DMSO: ≥5mg/mL

Refractive Index

1.535

SMILES

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C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2

InChIKey

OUBCNLGXQFSTLU-UHFFFAOYSA-N

LogP

1.6

Complexity

524

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

D05177
NCGC00185778-01
2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione;Nitisinone
NTBC cpd
UNII-K5BN214699
s5325
NITISINONE [JAN]
NCGC00185778-07
2-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-2-NITRO-P-TULUOYL)-1,3-CYCLOHEXANEDIONE
NITISINONE [MI]
DB00348
NSC773149
SCHEMBL338795
NTBC
Nitisone
NITISINONE [ORANGE BOOK]
CHEBI:50378
CCG-222085
NITISINONE [MART.]
SR-01000940576-2
EX-6233
MFCD01752192
NCGC00185778-04
N1054
SC 0735
C14H10F3NO5
OUBCNLGXQFSTLU-UHFFFAOYSA-N
2-(2-Nitro-4-trifluoromethylbenzoyl)cyclohexane-1,3-dione
MLS006011955
MLS004774025
nitisinona

MDL Number

MFCD01752192

Customs Code

2914700090

FAQ

What is 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7)?

2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7) is a complex organic compound with the molecular formula C16H11F3NO4. It is a white crystalline solid with a pungent odor. This compound is characterized by its stability and unique chemical properties, making it useful in various applications.

What are the main uses of 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7)?

2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7) is mainly used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of other organic compounds and plays a role in drug development. Additionally, it is used in research and development for its unique structural features.

Is 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7) safe?

2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7) is generally considered safe when handled with appropriate precautions. However, it is important to follow safety guidelines, including wearing protective gloves and goggles, and ensuring proper ventilation. Avoid contact with skin and eyes, and dispose of waste materials properly.

How should 2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7) be stored?

2-[2-Nitro-4-(trifluoromethyl)benzoyl]-1,3-cyclohexanedione (CAS: 104206-65-7) should be stored in a cool, dry place away from direct sunlight and heat sources. Keep it in a tightly sealed container to prevent moisture absorption. Store it in a well-ventilated area and avoid exposure to temperatures above 30°C. Do not store near flammable materials or acids.