Cas no 89-69-0 (2,4,5-Trichloronitrobenzene)

2,4,5-Trichloronitrobenzene (CAS 89-69-0) is a chlorinated nitroaromatic compound primarily used as an intermediate in organic synthesis. Its molecular structure, featuring three chlorine substituents and a nitro group on the benzene ring, makes it a versatile precursor for agrochemicals, dyes, and pharmaceuticals. The compound exhibits high reactivity in nucleophilic substitution reactions, enabling selective functionalization. Its stability under standard conditions and well-defined chemical properties facilitate precise control in synthetic processes. Due to its electron-withdrawing groups, it is particularly useful in electrophilic aromatic substitution and reduction reactions. Proper handling is essential, as it may pose hazards typical of chlorinated nitroaromatics, including toxicity and environmental concerns.

2,4,5-Trichloronitrobenzene structure

Product Name:2,4,5-Trichloronitrobenzene

CAS No:89-69-0

MF:C₆H₂Cl₃NO₂

MW:226.444578647614

MDL:MFCD00007072

CID:34521

PubChem ID:6983

Update Time:2025-10-19

2,4,5-Trichloronitrobenzene Chemical and Physical Properties

Names and Identifiers

- 1,2,4-Trichloro-5-nitrobenzene
- 2,4,5-Trichloronitrobenzene
- 1.2.4-Trichloro-5-nitrobenzene
- 5-Nitro-1,2,4-trichlorobenzene
- 2,4,5-Trichloro nitrobenzene
- Benzene, 1,2,4-trichloro-5-nitro-
- 1-Nitro-2,4,5-trichlorobenzene
- 3,4,6-Trichloronitrobenzene
- 2,4,5-trichloro-1-nitrobenzene
- 0YFY8PZD2M
- IBRBMZRLVYKVRF-UHFFFAOYSA-N
- 2,5-Trichloronitrobenzene
- WLN: WNR BG DG EG
- 1,4-Trichloro-5-nitrobenzene
- Benzene,2,4-trichloro-5-nitro-
- NSC60975
- PubChem3716
- DSSTox_CID_6203
- DSSTox_RID_78055
- DSSTox_GSID_26
- MLS002152857
- HMS3039M11
- CS-0204672
- NCGC00258491-01
- NSC-56980
- NSC56980
- 1,2,4-Trichloro-5-nitrobenzene, AldrichCPR
- LS-1898
- E78965
- EN300-100818
- NSC-50660
- 1,2,4-tris(chloranyl)-5-nitro-benzene
- NSC 50660
- TRICHLORONITROBENZENE, 2,4,5-
- SMR001224481
- Tox21_200937
- AKOS005149655
- A843281
- UNII-0YFY8PZD2M
- MFCD00007072
- NCGC00090855-01
- CAS-89-69-0
- NSC50660
- SCHEMBL1626066
- 89-69-0
- T0387
- NSC-60975
- Q27237347
- 5-nitro-1,2,4-trichlorbenzen
- InChI=1/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2
- 2,4,5-trichloronitro-benzene
- 1,4,5-Trichloro-2-nitrobenzene
- NCGC00090855-02
- CHEMBL1323107
- DTXCID206203
- W-100364
- BRN 1959066
- EINECS 201-931-7
- PS-10355
- AC-23991
- FT-0609792
- DTXSID5026203
- C6H2Cl3NO2
- 1,2,4-Trichloro-5-nitrobenzene (ACI)
- NSC 56980
- NSC 60975
- 2,4,5-Trichloronitrobenzene;1,2,4-Trichloro-5-nitrobenzene;5-Nitro-1,2,4-trichlorobenzene
- 2,4,5Trichloro1nitrobenzene
- 2,4,5Trichloronitrobenzene
- Benzene, 1,2,4trichloro5nitro
- NS00039338
- 3,4,6Trichloronitrobenzene
- 1,4,5Trichloro2nitrobenzene
- 5Nitro1,2,4trichlorobenzene
- MDL： MFCD00007072
- Inchi： 1S/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
- InChI Key： IBRBMZRLVYKVRF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(Cl)=CC(Cl)=C(Cl)C=1)=O
- BRN： 1959066

Computed Properties

Exact Mass: 224.91500
Monoisotopic Mass: 224.915
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 12
Rotatable Bond Count: 0
Complexity: 184
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: nothing
XLogP3: 3.5
Topological Polar Surface Area: 45.8

Experimental Properties

Color/Form: Low melting point crystallization
Density: 1.79
Melting Point: 57.0 to 59.0 deg-C
Boiling Point: 150°C/15mmHg(lit.)
Flash Point: 170 oC
Refractive Index: 1.6300 (estimate)
Water Partition Coefficient: 27 mg/L (20 oC)
PSA: 45.82000
LogP: 4.07820
Solubility: Soluble in water

2,4,5-Trichloronitrobenzene Security Information

Symbol:
Prompt：warning
Signal Word：Warning
Hazard Statement： H302
Warning Statement： P264-P270-P301+P312+P330-P501
Hazardous Material transportation number：3077
Hazard Category Code： R20/21/22;R50/53
Safety Instruction： S61-S60-S36/37-S28-S25
RTECS：DC2275000
Hazardous Material Identification：
HazardClass：6.1(b)
PackingGroup：III
Storage Condition：Sealed in dry,2-8°C(BD66081)
Safety Term：6.1(b)
Packing Group：III
Risk Phrases：R20/21/22; R50/53

2,4,5-Trichloronitrobenzene Customs Data

HS CODE：29392900
Customs Data：

China Customs Code:
2904909090

Overview:

2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2,4,5-Trichloronitrobenzene Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A013027951-250mg	2,4,5-Trichloronitrobenzene	89-69-0	97%	250mg	$504.00	2023-08-31
Alichem	A013027951-500mg	2,4,5-Trichloronitrobenzene	89-69-0	97%	500mg	$863.90	2023-08-31
Alichem	A013027951-1g	2,4,5-Trichloronitrobenzene	89-69-0	97%	1g	$1504.90	2023-08-31
Fluorochem	043309-5g	1,2,4-Trichloro-5-nitrobenzene	89-69-0	99%	5g	￡12.00	2022-03-01
Fluorochem	043309-25g	1,2,4-Trichloro-5-nitrobenzene	89-69-0	99%	25g	￡19.00	2022-03-01
Fluorochem	043309-100g	1,2,4-Trichloro-5-nitrobenzene	89-69-0	99%	100g	￡50.00	2022-03-01
Fluorochem	043309-500g	1,2,4-Trichloro-5-nitrobenzene	89-69-0	99%	500g	￡246.00	2022-03-01
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	T98920-100g	1,2,4-Trichloro-5-nitrobenzene	89-69-0	99%	100g	￥468.0	2023-09-06
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	T98920-25g	1,2,4-Trichloro-5-nitrobenzene	89-69-0	99%	25g	￥208.0	2023-09-06
abcr	AB143005-25 g	2,4,5-Trichloronitrobenzene, 99%; .	89-69-0	99%	25g	€66.90	2023-05-09

2,4,5-Trichloronitrobenzene Production Method

Production Method 1

89-69-0

Reaction Conditions

1.1 Reagents: Ozone , Nitrogen dioxide Solvents: Dichloromethane

Reference

: Ozone-mediated reaction of polychlorobenzenes and some related halogeno compounds with nitrogen dioxide: a novel non-acid methodology for the selective mononitration of moderately deactivated aromatic systems

Suzuki, Hitomi; Mori, Tadashi; Maeda, Koichi, Synthesis, 1994, (8), 841-5

Production Method 2

89-69-0

Reaction Conditions

1.1 Reagents: Sulfuric acid , Nitric acid ; rt → 50 °C; 2 h, 50 °C

Reference

: Synthesis of insecticide triflubenzuron

Liu, Chang-chun, Jingxi Huagong Zhongjianti, 2001, 31(6), 28-29

Production Method 3

89-69-0

Reaction Conditions

1.1 Reagents: Sulfuric acid , Nitric acid , Water

Reference

: Synthesis of 2,4,5-trichloronitrobenzene from 1,2,4-trichlorobenzene by nitration

Wang, Longhu; Xu, Wensong, Ranliao Gongye, 1999, 36(6), 26-27

Production Method 4

89-69-0

Reaction Conditions

1.1 Reagents: Sulfuric acid , Potassium nitrate ; 0 °C; 3 h, 0 °C → 50 °C; 50 °C → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized, 0 °C

Reference

: A novel bis(pinacolato)diboron-mediated N-O bond deoxygenative route to C6 benzotriazolyl purine nucleoside derivatives

Basava, Vikram; Yang, Lijia; Pradhan, Padmanava; Lakshman, Mahesh K., Organic & Biomolecular Chemistry, 2016, 14(29), 7069-7083

Production Method 5

89-69-0

Reaction Conditions

1.1 Reagents: Sodium nitrate , Sulfuric acid ; 3 h, 40 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; neutralized, 40 °C → 0 °C; 0 °C

Reference

: Model Systems for Flavoenzyme Activity: Relationships between Cofactor Structure, Binding and Redox Properties

Legrand, Yves-Marie; Gray, Mark; Cooke, Graeme; Rotello, Vincent M., Journal of the American Chemical Society, 2003, 125(51), 15789-15795

Production Method 6

89-69-0

Reaction Conditions

1.1 Reagents: Sulfuric acid , Nitric acid

Reference

: Synthesis of triclabendazole

Wu, Fanhong; Dou, Qingyu; Cai, Fanping; Yang, Jianping, Zhongguo Yiyao Gongye Zazhi, 2001, 32(9), 396-398

Production Method 7

89-69-0

Reaction Conditions

1.1 Reagents: Nitric acid

Reference

: Synthesis of 2,4-difluoroaniline and 1,3-difluorobenzene from 1,2,4-trichlorobenzene

Mason, James; Milner, David J., Synthetic Communications, 1994, 24(4), 529-32

2,4,5-Trichloronitrobenzene Preparation Products

2,4,5-Trichloronitrobenzene (89-69-0)

2,4,5-Trichloronitrobenzene Suppliers

Suzhou Senfeida Chemical Co., Ltd

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(CAS:89-69-0)1,2,4-Trichloro-5-nitrobenzene

Order Number:1648100;sfd078

Stock Status:in Stock

Quantity:Company Customization/200kg

Purity:98%/99.9%

Pricing Information Last Updated:Monday, 14 April 2025 21:49

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Jiangsu Xinsu New Materials Co., Ltd

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Purity:99%

Pricing Information Last Updated:Wednesday, 11 December 2024 17:03

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Tiancheng Chemical (Jiangsu) Co., Ltd

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(CAS:89-69-0)2,4,5-Trichloronitrobenzene, ≥ 99.0%

Order Number:LE17553;LE1648100

Stock Status:in Stock

Quantity:25KG,200KG,1000KG

Purity:99%

Pricing Information Last Updated:Friday, 20 June 2025 12:16

Price ($):discuss personally

Email:[email protected]

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89-69-0 (2,4,5-Trichloronitrobenzene) Related Products

Recommended suppliers

Suzhou Senfeida Chemical Co., Ltd

(CAS:89-69-0)1,2,4-Trichloro-5-nitrobenzene

Purity:98%/99.9%

Quantity:Company Customization/200kg

Price ($):Inquiry/Inquiry

Jiangsu Xinsu New Materials Co., Ltd

(CAS:89-69-0)

Purity:99%

Quantity:25KG,200KG,1000KG

Price ($):Inquiry

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Cas no 89-69-0 (2,4,5-Trichloronitrobenzene)

2,4,5-Trichloronitrobenzene Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

2,4,5-Trichloronitrobenzene Security Information

2,4,5-Trichloronitrobenzene Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

2,4,5-Trichloronitrobenzene Pricemore >>

2,4,5-Trichloronitrobenzene Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Production Method 5

Production Method 6

Production Method 7

2,4,5-Trichloronitrobenzene Preparation Products

2,4,5-Trichloronitrobenzene Suppliers

2,4,5-Trichloronitrobenzene Related Literature

89-69-0 (2,4,5-Trichloronitrobenzene) Related Products