Description

2-Chloro-1-fluoro-4-nitrobenzene (CAS No. 350-30-1) is a high-purity aromatic compound with the molecular formula C₆H₃ClFNO₂, widely utilized in pharmaceutical, agrochemical, and material science research. This yellow crystalline solid exhibits excellent reactivity as a versatile intermediate in nucleophilic aromatic substitution (S_NAr) reactions due to its electron-deficient nitro group and strategically positioned halogen substituents. With a molecular weight of 175.55 g/mol, it is rigorously tested via GC/HPLC to ensure ≥98% purity, meeting stringent laboratory standards. Proper storage at 2-8°C in a tightly sealed container under inert atmosphere is recommended to maintain stability. Hazard codes (H302/H312/H315/H319/H335) indicate handling precautions—use PPE and fume hoods.

Properties

• CAS Number: 350-30-1
• Complexity: 161
• IUPAC Name: 2-chloro-1-fluoro-4-nitro-benzene
• InChI: InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
• InChI Key: DPHCXXYPSYMICK-UHFFFAOYSA-N
• Exact Mass: 174.9836342
• Molecular Formula: C6H3ClFNO2
• Molecular Weight: 175.54
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)F
• Topological: 45.8
• Monoisotopic Mass: 174.9836342
• Synonyms: 3-Chloro-4-fluoronitrobenzene, 350-30-1, 2-Chloro-1-fluoro-4-nitrobenzene, EINECS 206-499-3, NSC 163894, BRN 1944997, DTXSID6049278, UNII-8H6U84X075, 8H6U84X075, NSC-163894, DTXCID5029134, DPHCXXYPSYMICK-UHFFFAOYSA-, 4-05-00-00725 (Beilstein Handbook Reference), 206-499-3, dphcxxypsymick-uhfffaoysa-n, inchi=1/c6h3clfno2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3h, Benzene, 2-chloro-1-fluoro-4-nitro-, 1-chloro-2-fluoro-5-nitrobenzene, 2-Chloro-1-fluoro-4-nitro-benzene, MFCD00007206, 3-Chloro-4-fluoro-1-nitrobenzene, 4-fluoro-3-chloronitrobenzene, NSC163894, 3-chloro-4-fluronitrobenzene, SCHEMBL169304, 2-chloro-4-nitro-fluorobenzene, 2-fluoro-5-nitro-chlorobenzene, 3-chloro-4-fluoro nitrobenzene, 3-chloro-4-fluoro-nitrobenzene, 4-fluoro-3-chloro-nitrobenzene, CHEMBL167472, 3-Chloro 4-fluoro nitrobenzene, SCHEMBL18820148, SCHEMBL27684781, 2-chloro-l-fluoro-4-nitrobenzene, 2-chloro 1-fluoro-4-nitrobenzene, 4-fluoro-3-chloro-1-nitrobenzene, 3-chloro-4-fluoro-1-nitro-benzene, Tox21_202824, AC-238, SBB063574, 3-Chloro-4-fluoronitrobenzene, 98%, AKOS000119938, CS-W008736, NCGC00260370-01, CAS-350-30-1, DS-12678, DB-023919, NS00041647, ST50405086, EN300-19452, Q27270482, Z104473890

Application

2-Chloro-1-fluoro-4-nitrobenzene serves as a key precursor in synthesizing fluorinated pharmaceuticals, including kinase inhibitors and antimicrobial agents. Its nitro group facilitates catalytic reduction to amines for downstream heterocycle formation, while the chlorine/fluorine substitution pattern enables regioselective functionalization in cross-coupling reactions. Researchers also employ it in liquid crystal and polymer intermediate synthesis due to its rigid aromatic core.

Safety and Hazards

GHS Hazard Statements

• H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H311 (12.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (85.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (14.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (89.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H373 (12.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (12.5%)
• Acute Tox. 4 (87.5%)
• Acute Tox. 3 (12.5%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (85.4%)
• Eye Irrit. 2 (14.6%)
• STOT SE 3 (89.6%)
• STOT RE 2 (12.5%)

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