Description

4-Chlorobutyryl Chloride (CAS No. 4635-59-0) is a highly reactive organochlorine compound with the molecular formula C₄H₆Cl₂O. This colorless to pale yellow liquid is widely used as a versatile intermediate in organic synthesis, particularly in pharmaceuticals, agrochemicals, and specialty chemical manufacturing. It features a reactive acyl chloride group (–COCl) and a terminal chlorine (–Cl), enabling its use in nucleophilic substitution and acylation reactions. Suitable for laboratory and industrial applications, this product is handled under strict safety protocols due to its corrosive nature and moisture sensitivity. Packaged in sealed, corrosion-resistant containers to ensure stability and purity.

• Purity: ≥95% (Technical Grade), 99% (High Purity)
• Molecular Weight: 141.00 g/mol
• Boiling Point: ~145-150°C
• Density: ~1.25 g/cm³
• Storage: Store under inert gas (N₂) at 2-8°C

Properties

• CAS Number: 4635-59-0
• Complexity: 62.7
• IUPAC Name: 4-chlorobutanoyl chloride
• InChI: InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2
• InChI Key: CDIIZULDSLKBKV-UHFFFAOYSA-N
• Exact Mass: 139.9795702
• Molecular Formula: C4H6Cl2O
• Molecular Weight: 140.99
• SMILES: C(CC(=O)Cl)CCl
• Topological: 17.1
• Monoisotopic Mass: 139.9795702
• Physical Description: Light gold liquid;
• Boiling Point: 173.5 °C
• Solubility: Soluble in ethanol
• Density: 1.258
• Vapor Pressure: 1.32 [mmHg]
• Refractive Index: Index of refraction = 1.462
• Synonyms: 4-Chlorobutyryl chloride, 4-Chlorobutanoyl chloride, Butanoyl chloride, 4-chloro-, 4-Chlorobutyroyl chloride, 4-Chlorobutanoic acid chloride, 4-Chlorobutyric acid chloride, gamma-Chlorobutyryl chloride, Butyryl chloride, 4-chloro-, gamma-Chlorobutyroyl chloride, HSDB 7299, EINECS 225-059-1, UNII-3663U0VKRI, .gamma.-Chlorobutyryl chloride, 3663U0VKRI, 4-Chlorobutyl chloride, DTXSID6052114, CDIIZULDSLKBKV-UHFFFAOYSA-, .gamma.-Chloro-n-butyryl chloride, EC 225-059-1, .OMEGA.-CHLOROBUTYRYL CHLORIDE, .GAMMA.-CHLOROBUTYROYL CHLORIDE, .OMEGA.-CHLOROBUTANOYL CHLORIDE, .GAMMA.-CHLOROBUTYRYL CHLORIDE [HSDB], 4chlorobutyroyl chloride, 4Chlorobutanoyl chloride, Butyryl chloride, 4chloro, gammaChlorobutyryl chloride, gammaChlorobutyroyl chloride, 4Chlorobutyric acid chloride, 4Chlorobutanoic acid chloride, gamma-Chloro-n-butyryl chloride, DTXCID8030683, OMEGA-CHLOROBUTYRYL CHLORIDE, OMEGA-CHLOROBUTANOYL CHLORIDE, 225-059-1, cdiizuldslkbkv-uhfffaoysa-n, inchi=1/c4h6cl2o/c5-3-1-2-4(6)7/h1-3h2, un2927, 4635-59-0, 4-chloro-butyryl chloride, 4-chlorobutyrylchloride, Butanoyl chloride, chloro-, 4-chloro butyryl chloride, chlorobutyrylchloride, MFCD00000754, chlorobutyryl chloride, chlorobutanoyl chloride, 4-chlorobutryl chloride, 4-chlorobutyryl choride, 4-chlorobutanoylchloride, 4-chlorobutyric chloride, ?-Chlorobutyryl chloride, ?-Chlorobutanoyl chloride, ?-Chlorobutyroyl chloride, C4H6Cl2O, 4-Chlorobutanoyl chloride #, SCHEMBL72850, 4-Chlorobutyryl chloride, 99%, gamma-chlorobutyric acid chloride, BBL011409, SBB060894, STL146515, AKOS000119223, BP-30169, VS-02941, C0824, NS00006702, ST51046991, EN300-18995, 4-Chlorobutyryl chloride, technical grade, 95%, Q27256529, F2190-0035

4-Chlorobutyryl chloride serves as a key building block in synthesizing active pharmaceutical ingredients (APIs) and fine chemicals. It is employed in the production of GABA analogs, anticonvulsants, and other neuroactive compounds. In agrochemicals, it acts as an intermediate for herbicides and pesticides. Its dual functionality allows for facile incorporation into complex molecular architectures via acylations or alkylations. Handle with appropriate PPE in a fume hood due to its lachrymatory and corrosive properties.

Safety and Hazards

GHS Hazard Statements

• H290 (67.1%): May be corrosive to metals [Warning Corrosive to Metals]
• H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H330 (95.7%): Fatal if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P234, P260, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (67.1%)
• Acute Tox. 4 (98.1%)
• Skin Corr. 1A (100%)
• Acute Tox. 2 (95.7%)

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