Description

1,2-Dichloro-4-nitrobenzene (CAS No. 99-54-7) is a high-purity aromatic compound with the molecular formula C₆H₃Cl₂NO₂, widely utilized in organic synthesis and industrial applications. This yellow crystalline solid exhibits excellent stability and reactivity, making it a valuable intermediate for pharmaceuticals, agrochemicals, and dye manufacturing. Its IUPAC name, 1,2-dichloro-4-nitrobenzene, reflects its precise chemical structure, featuring a nitro group at the 4-position and chlorine substituents at the 1- and 2-positions on the benzene ring. Packaged under stringent quality control, our product ensures ≥98% purity (GC) and is available in scalable quantities for research and bulk procurement. Suitable for nucleophilic substitution reactions, catalytic studies, and as a precursor for advanced materials.

Properties

• CAS Number: 99-54-7
• Complexity: 159
• IUPAC Name: 1,2-dichloro-4-nitro-benzene
• InChI: InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
• InChI Key: NTBYINQTYWZXLH-UHFFFAOYSA-N
• LogP: log Kow = 3.12
• Exact Mass: 190.9540837
• Molecular Formula: C6H3Cl2NO2
• Molecular Weight: 192.00
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
• Topological: 45.8
• Monoisotopic Mass: 190.9540837
• Physical Description: 3,4-dichloronitrobenzene appears as colorless crystals or light beige solid.
• Color/Form: Needles from alcohol
• Boiling Point: 491 to 493 °F at 760 mmHg
• Melting Point: 109 °F
• Flash Point: 255 °F
• Solubility: less than 0.1 mg/mL at 74.3 °F
• Density: 1.4558 at 167 °F – Denser than water; will sink
• Vapor Density: 6.63 – Heavier than air; will sink
• Vapor Pressure: 0.01 [mmHg]
• Henry’s Law Constant: Henry’s Law constant = 8.07X10-6 amt-cu m/mol at 25 °C
• Autoignition Temperature: 420 °C
• Synonyms: 3,4-DICHLORONITROBENZENE, 1,2-Dichloro-4-nitrobenzene, 99-54-7, 1-Nitro-3,4-dichlorobenzene, Benzene, 1,2-dichloro-4-nitro-, 3,4-Dichlornitrobenzen, CCRIS 3097, 3,4-Dichloronitrobenzen, 3,4-Dichlornitrobenzen [Czech], HSDB 4252, 3,4-Dichloronitrobenzen [Czech], UNII-IJT74JI7FS, IJT74JI7FS, NSC 6295, AI3-03268 (USDA), EINECS 202-764-2, BRN 1818163, DTXSID8024999, AI3-03268, NSC-6295, NSC-99806, 3,4-dichloro-1-nitrobenzene, DTXCID504999, EC 202-764-2, 3,4-DICHLORONITROBENZENE [HSDB], 3,4-DICHLORONITROBENZEN (CZECH), 3,4Dichlornitrobenzen, 3,4Dichloronitrobenzen, 1,2Dichloro4nitrobenzene, 1Nitro3,4dichlorobenzene, Benzene, 1,2dichloro4nitro, AI303268 (USDA), 4-05-00-00726 (beilstein handbook reference), inchi=1/c6h3cl2no2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3, ntbyinqtywzxlh-uhfffaoysa-n, un1578, DCNB, 1,2-Dichloro-4-nitro-benzene, WLN: WNR CG DG, Benzene,2-dichloro-4-nitro-, CAS-99-54-7, 1,2-Dichloro-4-nitrobenzene; 1-Nitro-3,4-dichlorobenzene; 3,4-Dichloronitrobenzene; DCNB; NSC 6295; NSC 99806, 3, 4-dichloronitrobenzene, 3,4-dichloro-nitrobenzene, 3,4-dichloro-nitro benzene, SCHEMBL85918, 3,4-dichloro- 1-nitrobenzene, CHEMBL167468, SCHEMBL1197086, SCHEMBL2208121, SCHEMBL11689910, NSC6295, NSC99806, STR01633, Tox21_201613, Tox21_300293, MFCD00007207, SBB057511, STL256829, 1,2-Dichloro-4-nitrobenzene, 99%, AKOS005157643, FD70434, 3,4-Dichloronitrobenzene ; 3,4-DCNB, NCGC00091637-01, NCGC00091637-02, NCGC00091637-03, NCGC00091637-04, NCGC00254103-01, NCGC00259162-01, DB-003354, CS-0164308, D0388, NS00010037, ST45053544, EN300-54305, A19495, E78961, Q2469366, 1,2-dichloro-4-nitrobenzene? (Afatinib Impurity pound(c), 1,2-Dichloro-4-nitrobenzene, PESTANAL(R), analytical standard

Application

1,2-Dichloro-4-nitrobenzene serves as a key intermediate in the synthesis of herbicides, fungicides, and pharmaceutical compounds. It is employed in cross-coupling reactions to construct complex aromatic frameworks and as a substrate for studying halogen-nitrobenzene reactivity. Researchers also utilize it in the development of dyes and pigments due to its electron-withdrawing nitro group.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
• H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
• H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
• H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• 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

• P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P318, P319, P330, P391, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute toxicity – Category 4
• Reproductive toxicity – Category 2
• Specific target organ toxicity – Single exposure – Category 3
• Specific target organ toxicity – Repeated exposure – Category 1 , Category 2
• Hazardous to the aquatic environment – Category 2
• Hazardous to the aquatic environment – Category 2

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.