Description

2,3-Dichloronitrobenzene (CAS No. 3209-22-1) is a high-purity aromatic compound with the molecular formula C₆H₃Cl₂NO₂, widely used in organic synthesis and industrial applications. This yellow crystalline solid is characterized by its two chlorine substituents and a nitro group on the benzene ring, making it a versatile intermediate for pharmaceuticals, agrochemicals, and dye manufacturing. Its IUPAC name, 1,2-dichloro-3-nitrobenzene, reflects its precise structural configuration. With a purity grade suitable for research and industrial use, this compound is rigorously tested to ensure consistency and reliability. Proper handling is advised due to its potential toxicity and reactivity under certain conditions.

Properties

• CAS Number: 3209-22-1
• Complexity: 159
• IUPAC Name: 1,2-dichloro-3-nitro-benzene
• InChI: InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
• InChI Key: CMVQZRLQEOAYSW-UHFFFAOYSA-N
• LogP: log Kow = 3.05
• Exact Mass: 190.9540837
• Molecular Formula: C6H3Cl2NO2
• Molecular Weight: 192.00
• SMILES: C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 190.9540837
• Physical Description: 2,3-dichloronitrobenzene appears as light yellow crystals or yellow crystalline solid.
• Color/Form: Monoclinic needles from petroleum ether, acetic acid
• Boiling Point: 495 to 496 °F at 760 mmHg
• Melting Point: 142 to 144 °F
• Flash Point: 255 °F
• Solubility: less than 0.1 mg/mL at 77 °F
• Density: 1.72 – Denser than water; will sink
• Vapor Density: Relative vapor density : 6.6
• Vapor Pressure: 0.00505 [mmHg]
• Synonyms: 2,3-DICHLORONITROBENZENE, 1,2-Dichloro-3-nitrobenzene, 3209-22-1, 2,3-Dichloro-1-nitrobenzene, Benzene, 1,2-dichloro-3-nitro-, CCRIS 5901, HSDB 4279, EINECS 221-717-7, NSC 60641, BRN 2048029, 985EWS35KG, DTXSID8024997, NSC-60641, DTXCID704997, EC 221-717-7, DICHLORONITROBENZENE, 2,3-, 2,3-DICHLORONITROBENZENE [HSDB], 1,2Dichloro3nitrobenzene, 2,3Dichloro1nitrobenzene, Benzene, 1,2dichloro3nitro, 1-Nitro-2,3-dichlorobenzene, ORTHO,META-DICHLORO-1-NITROBENZENE, 221-717-7, inchi=1/c6h3cl2no2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3, Benzene, dichloronitro-, 27900-75-0, UNII-985EWS35KG, NSC60641, AI3-15074, DICHLORONITROBENZENE, 2,3-dichloro-nitrobenzene, SCHEMBL58157, Benzene,2-dichloro-3-nitro-, 1,2-Dichloro-3-nitro-benzene, 2,3-dichloro- 1-nitrobenzene, CHEMBL168024, SCHEMBL5747018, SCHEMBL5747020, SCHEMBL11526782, 1,2 -Dichloro-3-Nitro-benzene, 1, 2 -Dichloro-3-Nitro-benzene, Tox21_200851, MFCD00007062, SBB061437, 1,2-bis(chloranyl)-3-nitro-benzene, AKOS000121058, NCGC00091860-01, NCGC00091860-02, NCGC00091860-03, NCGC00258405-01, CAS-3209-22-1, D0386, NS00002945, ST50827485, EN300-21775, E78836, A821127, Q2173513, 1,2-Dichloro-3-nitrobenzene, PESTANAL(R), analytical standard

Application

2,3-Dichloronitrobenzene serves as a key intermediate in the synthesis of herbicides, fungicides, and pharmaceutical compounds. It is utilized in the production of dyes and pigments due to its nitroaromatic properties. Researchers also employ it in cross-coupling reactions and as a precursor for more complex organic molecules. Its reactivity makes it valuable in studying electrophilic aromatic substitution mechanisms.

Safety and Hazards

GHS Hazard Statements

• H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, P391, and P501

Hazard Classes and Categories

• Acute toxicity – Category 4
• Skin corrosion/irritation – Category 2
• Specific target organ toxicity – Single exposure – Category 1
• Specific target organ toxicity – Repeated exposure – Category 2
• Hazardous to the aquatic environment – Category 2
• Hazardous to the aquatic environment – Category 2

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