ChemicalBook > CAS DataBase List > 3,4,5-Trichloronitrobenzene

3,4,5-Trichloronitrobenzene

Product Name: 3,4,5-Trichloronitrobenzene
CAS No.: 20098-48-0
Chemical Name: 3,4,5-Trichloronitrobenzene
Synonyms: Anagrelide Impurity 11;3,4,5-Trichlornitrobenzol;3,4,5-DICHLORONITROBENZENE;3,4,5-TRICHLORONITROBENZENE;1,2,3-TRICHLORO-5-NITROBENZNE;1,2,3-TRICHLORO-5-NITROBENZENE;5-NITRO-1,2,3-TRICHLOROBENZENE;3,4,5-trichloro-1-nitrobenzene;Benzene,1,2,3-trichloro-5-nitro-;1,2,3-Trichloro-5-nitrobenzene,98%
CBNumber: CB3359521
Molecular Formula: C6H2Cl3NO2
Formula Weight: 226.44
MOL File: 20098-48-0.mol

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3,4,5-Trichloronitrobenzene Property

Melting point:: 68-71 °C (lit.)
Boiling point:: 288°C (rough estimate)
Density: 1.8070
refractive index: 1.6300 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Pale Orange
Water Solubility: <0.1 g/100 mL at 15 ºC
BRN: 2505480
InChI: InChI=1S/C6H2Cl3NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H
InChIKey: HHLCSFGOTLUREE-UHFFFAOYSA-N
SMILES: C1(Cl)=CC([N+]([O-])=O)=CC(Cl)=C1Cl
CAS DataBase Reference: 20098-48-0(CAS DataBase Reference)
NIST Chemistry Reference: Benzene, 1,2,3-trichloro-5-nitro-(20098-48-0)
EPA Substance Registry System: Benzene, 1,2,3-trichloro-5-nitro- (20098-48-0)

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Safety

Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
Safety Statements: 36/37/39-36/37
RIDADR: 2811
WGK Germany: 3
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III
HS Code: 29049090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 411973
Product name: 1,2,3-Trichloro-5-nitrobenzene
Purity: 96%
Packaging: 5g
Price: $51
Updated: 2023/06/20

TCI Chemical

Product number: T1580
Product name: 3,4,5-Trichloronitrobenzene
Purity: >96.0%(GC)
Packaging: 5g
Price: $29
Updated: 2025/07/31

TCI Chemical

Product number: T1580
Product name: 3,4,5-Trichloronitrobenzene
Purity: >96.0%(GC)
Packaging: 25g
Price: $93
Updated: 2025/07/31

TRC

Product number: T774270
Product name: 3,4,5-Trichloronitrobenzene
Packaging: 50g
Price: $215
Updated: 2021/12/16

Medical Isotopes, Inc.

Product number: 62283
Product name: 3,4,5-Trichloronitrobenzene
Packaging: 25g
Price: $610
Updated: 2021/12/16

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3,4,5-Trichloronitrobenzene Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powder

Uses

3,4,5-Trichloronitrobenzene a reagent, used in the synthesis of INT131, a PPARγ molecule that regulates insulin sensitivity. Also is used in the synthesis of thyroid hormone receptor β selective ligands that are used in hormone treatments.

General Description

Pale-yellow crystals or yellow crystalline solid.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

This type of compound is incompatible with strong bases and strong oxidizing agents. .

Fire Hazard

Flash point data for 3,4,5-Trichloronitrobenzene are not available; however, 3,4,5-Trichloronitrobenzene is probably combustible.

Synthesis

99-30-9

20098-48-0

General procedure for the synthesis of 1,2,3-trichloro-5-nitrobenzene from 2,6-dichloro-4-nitroaniline: 96 g of 98% concentrated sulphuric acid was added to the reaction flask at 20 °C, 7.2 g of sodium nitrite was added slowly with stirring, and then the temperature was raised to 70 °C. After the sodium nitrite was completely dissolved, the solution was cooled to 50°C. 20g of 2,6-dichloro-4-nitroaniline was added at once and the reaction was maintained at this temperature for 1 hour. After the reaction was completed, the mixture was cooled to 5 °C and 27.3 g of glacial acetic acid was slowly added dropwise. After the dropwise addition was completed, stirring was continued for 1 hour to obtain a 2,6-dichloro-4-nitroaniline diazonium salt solution. In another reaction flask, 18 g of cuprous chloride and 7.14 g of concentrated hydrochloric acid were added. The above diazonium salt solution was slowly added dropwise to this reaction flask under rapid stirring, keeping the temperature below 15 °C. After completion of the dropwise addition, the reaction was maintained for 1 hour, followed by raising the temperature to 70°C to continue the reaction for 1 hour. At the end of the reaction, the mixture was cooled to room temperature, poured into a 2L reaction flask, and 60 g of water was added under stirring. 0.5 h later, filtration was carried out to obtain 1,2,3-trichloro-5-nitrobenzene as a yellow solid with a dry weight of 21.5 g. The yield was 98.5%, and the purity was 98.3% by HPLC.

References

[1] Patent: CN104447597, 2018, B. Location in patent: Paragraph 0020; 0023; 0045-0047
[2] Patent: CN107746390, 2018, A. Location in patent: Paragraph 0021; 0022; 0023
[3] Journal of Medicinal Chemistry, 1980, vol. 23, # 10, p. 1083 - 1087
[4] Journal of the Chemical Society, 1926, p. 3044
[5] Patent: CN104098521, 2016, B. Location in patent: Paragraph 0038; 0039; 0040; 0041

3,4,5-Trichloronitrobenzene Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 3,4,5-Trichloronitrobenzene manufacturers

Firsky International Trade (Wuhan) Co., Ltd

Product: 1,2,3-Trichloro-5-nitrobenzene 20098-48-0
Price: US $30.00/L
Min. Order: 1L
Purity: 99%
Supply Ability: 20T
Release date: 2023-10-08

Zhuozhou Wenxi import and Export Co., Ltd

Product: 3,4,5-Trichloronitrobenzene 20098-48-0
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-11

Zhuozhou Wenxi import and Export Co., Ltd

Product: 3,4,5-Trichloronitrobenzene 20098-48-0
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-09

20098-48-0, 3,4,5-TrichloronitrobenzeneRelated Search:

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1,2,3-TRICHLORO-5-NITROBENZENE

1,2,3-TRICHLORO-5-NITROBENZNE

20098-48-0

20098-51-8

C6H2Cl3NO2

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Nitrogen Compounds

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Nitro Compounds

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Chemical Synthesis

Nitrogen Compounds

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Aromatic Halides (substituted)

Chlorine Compounds

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Nitrogen Compounds

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