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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- 411973
- Product name
- 1,2,3-Trichloro-5-nitrobenzene
- Purity
- 96%
- Packaging
- 5g
- Price
- $51
- Updated
- 2023/06/20
- Product number
- T1580
- Product name
- 3,4,5-Trichloronitrobenzene
- Purity
- >96.0%(GC)
- Packaging
- 5g
- Price
- $29
- Updated
- 2025/07/31
- Product number
- T1580
- Product name
- 3,4,5-Trichloronitrobenzene
- Purity
- >96.0%(GC)
- Packaging
- 25g
- Price
- $93
- Updated
- 2025/07/31
- Product number
- T774270
- Product name
- 3,4,5-Trichloronitrobenzene
- Packaging
- 50g
- Price
- $215
- Updated
- 2021/12/16
- Product number
- JK437725
- Product name
- 1,2,3-Trichloro-5-nitrobenzene
- Purity
- 96%
- Packaging
- 1g
- Price
- $13
- Updated
- 2021/12/16
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
- 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
- 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
- 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