1,3,5-Trifluoro-2-nitrobenzene

Basic Information

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CAS Number

315-14-0

Molecular Formula

C6H2F3NO2

Molecular Weight

177.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Melting Point

3.5 °C

Boiling Point

172°C

Refractive Index

n20/D 1.477(lit.)

SMILES

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C1=C(C=C(C(=C1F)[N+](=O)[O-])F)F

InChI

InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

InChIKey

PWRFDGYYJWQIAB-UHFFFAOYSA-N

LogP

2.53530

Complexity

172

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

AC-1783
A20886
FT-0606509
DTXSID80185400
EINECS 206-248-8
PWRFDGYYJWQIAB-UHFFFAOYSA-
AS-14418
1,3,5-Trifluoro-2-nitrobenzene
1,3,5-trifluoro-2-nitro-benzene
NSC 10247
AKOS006223684
CS-W020685
2-Nitro-1,3,5-trifluorobenzene;4-fluroaniline;,4,6-Trifluoro-1-nitrobenzene
2,4,6-Trifluoronitrobenzene, 98%
Benzene, 1,3,5-trifluoro-2-nitro-
EN300-113886
SY022995
1,3,5-trifluoronitrobenzene
T1681
NSC-10247
MFCD00014687
2,2,6-trifluoronitrobenzene
2,4,6-trifluoro-1-nitrobenzene
2,4,6-Trifluoronitrobenzene
SCHEMBL104470
W-106895
InChI=1/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
NS00042290
SCHEMBL17347356
2,4,6 trifluoronitrobenzene
L3XM2GS9E4

MDL Number

MFCD00014687

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1,3,5-Trifluoro-2-nitrobenzene (CAS: 315-14-0)?

1,3,5-Trifluoro-2-nitrobenzene (CAS: 315-14-0) is a crystalline solid with a molecular weight of approximately 211.07 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and dichloromethane. Chemically, it is a potent electrophile and nitro compound, showing good reactivity towards nucleophiles and reductants.

How is 1,3,5-Trifluoro-2-nitrobenzene (CAS: 315-14-0) typically synthesized?

1,3,5-Trifluoro-2-nitrobenzene can be synthesized via the nitration of 1,3,5-trifluorobenzene, usually in the presence of an acid catalyst like sulfuric acid. The reaction is carried out under controlled conditions to achieve high yield and selectivity, with stoichiometric nitration being a common approach.

What industries use 1,3,5-Trifluoro-2-nitrobenzene (CAS: 315-14-0)?

1,3,5-Trifluoro-2-nitrobenzene is primarily used in the pharmaceutical industry for the synthesis of drugs, particularly those requiring specific functional groups for modification. It also has applications in the polymer and semiconductor industries, where its unique chemical properties are utilized.

What precautions should be taken when handling 1,3,5-Trifluoro-2-nitrobenzene (CAS: 315-14-0)?

When handling 1,3,5-Trifluoro-2-nitrobenzene, always wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Store it in a well-ventilated area and use a fume hood during operations to minimize exposure. In case of spill, use appropriate spill kits and follow the safety data sheet (SDS) for disposal and cleanup procedures.