Description

1-Chloro-4-nitrobenzene (CAS No. 100-00-5), also known as 4-Chloronitrobenzene or p-Chloronitrobenzene, is a high-purity organic compound with the molecular formula C₆H₄ClNO₂. This pale yellow crystalline solid is widely utilized in chemical synthesis, particularly as an intermediate in the production of dyes, pharmaceuticals, and agrochemicals. With a melting point of 82-84°C and a boiling point of 242°C, it exhibits excellent stability under standard conditions. Our product is rigorously tested for purity (≥98% by GC) and is supplied in secure, chemically resistant packaging to ensure integrity during storage and transport. Ideal for research laboratories and industrial applications, 1-Chloro-4-nitrobenzene is handled under strict safety protocols due to its potential toxicity and environmental hazards (GHS07/GHS09).

Properties

• CAS Number: 100-00-5
• Complexity: 126
• IUPAC Name: 1-chloro-4-nitro-benzene
• InChI: InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
• InChI Key: CZGCEKJOLUNIFY-UHFFFAOYSA-N
• LogP: log Kow = 2.39
• Exact Mass: 156.9930561
• Molecular Formula: C6H4ClNO2
• Molecular Weight: 157.55
• SMILES: C1=CC(=CC=C1[N+](=O)[O-])Cl
• Topological: 45.8
• Monoisotopic Mass: 156.9930561
• Physical Description: Either a clear yellow liquid or solid. Burns, but difficult to ignite. Denser than water and insoluble in water. Toxic by inhalation and skin absorption. Produces toxic oxides of nitrogen during combustion.
• Color/Form: Monoclinic prisms
• Odor: Sweet odor
• Boiling Point: 468 °F at 760 mmHg
• Melting Point: 182.5 °F
• Flash Point: 230 °F
• Solubility: less than 0.1 mg/mL at 75 °F
• Density: 1.52 at 64 °F – Denser than water; will sink
• Vapor Density: 5.44 – Heavier than air; will sink
• Vapor Pressure: 0.09 mmHg at 77 °F ; 0.23 mmHg at 99.9 °F
• Henry’s Law Constant: Henry’s Law constant = 4.89X10-6 atm-cu m/mol at 25 °C
• Autoignition Temperature: 510 °C
• Viscosity: 1.07X10-3 Pa-s at 356.65 deg K
• Heat of Vaporization: 6.21X10+7 J/Kmol at 356.65 deg K
• Surface Tension: 3.71X10-2 N/m at 356.65 deg K
• Ionization Potential: 9.96 eV
• Refractive Index: MAX ABSORPTION : 270.5 NM ; SADTLER REF NUMBER: 4683 ; 435 ; INDEX OF REFRACTION: 1.5376 AT 100 °C/ALPHA
• Synonyms: 4-Chloronitrobenzene, 1-CHLORO-4-NITROBENZENE, p-Chloronitrobenzene, Benzene, 1-chloro-4-nitro-, p-Nitrochlorobenzene, 4-Nitrochlorobenzene, CCRIS 142, HSDB 1666, EINECS 202-809-6, UNII-CVL66U249D, p-Nitrochloro benzene, DTXSID5020281, AI3-15387, Nitrochlorobenzene, p-, Nitrochlorobenzene, para, NSC-9792, 1 Chloro-4-nitrobenzene, UN 1578 (Salt/Mix), DTXCID10281, P-CHLORONITROBENZENE [MI], BENZENE,1-CHLORO,4-NITRO, EC 202-809-6, CHLORO-4-NITROBENZENE, 1-, 1-CHLORO-4-NITROBENZENE [HSDB], NITROCHLOROBENZENE (M-OR P-, SOLID), NITROCHLOROBENZENE [M-OR P-, SOLID], pNitrochlorobenzol, pNitroclorobenzene, pChloronitrobenzene, pNitrochloorbenzeen, pNitrochlorobenzene, 4chloronitrobenzene, 1Chlor4nitrobenzol, 4Nitrochlorobenzene, 1Cloro4nitrobenzene, 1Chloor4nitrobenzeen, 1Chloro4nitrobenzene, 1Nitro4chlorobenzene, 4Chloro1nitrobenzene, 4Nitro1chlorobenzene, pNitrophenyl chloride, Benzene, 1chloro4nitro, CHLORONITROBENZENES, benzene, 1-chloro-4-nitro, CHLORONITROBENZENES, SOLID, NITROCHLOROBENZENES, SOLID, DTXSID40881178, CHLORONITROBENZENES, LIQUID, NITROCHLOROBENZENES, LIQUID, UN 1578 (DOT), p-Nitrochlorobenzene (ACGIH:OSHA), NITROCHLOROBENZENE, PARA-, SOLID (DOT), czgcekjolunify-uhfffaoysa-n, inchi=1/c6h4clno2/c7-5-1-3-6(4-2-5)8(9)10/h1-4, nocas_881178, un1578, 100-00-5, PNCB, 4-Chloro-1-nitrobenzene, p-Nitrophenyl chloride, p-Nitrochlorobenzol, p-Nitroclorobenzene, 1-Nitro-4-chlorobenzene, 4-Nitro-1-chlorobenzene, p-Nitrochloorbenzeen, 1-Chlor-4-nitrobenzol, 1-Cloro-4-nitrobenzene, 1-Chloor-4-nitrobenzeen, 1-Chloro-4-nitro-benzene, NSC 9792, MFCD00007285, CVL66U249D, CHEBI:34399, Nitrobenzene, 4-chloro-, p-Nitrochloorbenzeen [Dutch], p-Nitrochlorobenzol [German], CAS-100-00-5, p-Nitroclorobenzene [Italian], 1-Chlor-4-nitrobenzol [German], 1-Chloor-4-nitrobenzeen [Dutch], 1-Cloro-4-nitrobenzene [Italian], CNB, parachloronitrobenzene, paranitrochlorobenzene, 4-nitrochlorobenezene, p-chloro nitrobenzene, p-chloro-nitrobenzene, p-nitro-chlorobenzene, 4-chloro-nitrobenzene, 4-chloronitro benzene, 4-nitro chlorobenzene, para-chloronitrobenzene, para-nitrochlorobenzene, 1chloro-4-nitrobenzene, 1-chloro-4-nitrobenzen, WLN: WNR DG, 1-Chloro-4-nitro benzene, SCHEMBL29242, ghl.PD_Mitscher_leg0.919, MLS001055334, BIDD:ER0244, CHEMBL56970, SCHEMBL193032, Chloronitrobenzene, para, solid, SCHEMBL2040645, SCHEMBL2724772, SCHEMBL13815839, 1-Chloro-4-nitrobenzene, 99%, NSC9792, HMS3039H08, Tox21_202291, Tox21_300033, BBL013182, STL163961, AKOS000119953, NCGC00090707-01, NCGC00090707-02, NCGC00090707-03, NCGC00090707-04, NCGC00253995-01, NCGC00259840-01, BP-13397, FC167947, PS-10611, SMR000674577, DB-038035, 1-Chloro-4-nitrobenzene, analytical standard, NS00009240, EN300-19641, AR-360/40217802, 1-Chloro-4-nitrobenzene 100 microg/mL in Methanol, Q4637187, Chloronitrobenzene, para, solid [UN1578] [Poison], F0001-0006, Z104474568

Application

1-Chloro-4-nitrobenzene serves as a key precursor in the synthesis of 4-nitrophenol and 4-chloroaniline, compounds essential for azo dye manufacturing. It is employed in pharmaceutical research for developing antimicrobial and antifungal agents. The compound also finds use in agrochemical production, particularly in creating herbicides and insecticides. Its reactivity in nucleophilic aromatic substitution reactions makes it valuable for organic synthesis studies.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
• H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
• H350: May cause cancer [Danger Carcinogenicity]
• H360: May damage fertility or the unborn child [Danger Reproductive toxicity]
• H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]
• H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P203, P260, P262, P264, P270, P280, P301+P317, P302+P352, P308+P316, P316, P318, P319, P321, P330, P361+P364, P405, and P501

Hazard Classes and Categories

• Acute toxicity – Category 4
• Acute toxicity – Category 3
• Serious eye damage/eye irritation – Category 2B
• Germ cell mutagenicity – Category 2
• Carcinogenicity – Category 2
• Reproductive toxicity – Category 2
• Specific target organ toxicity – Single exposure – Category 1
• Specific target organ toxicity – Repeated exposure – Category 1
• 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.