390860

4-Chlorobutyl benzoate

97%

• Linear Formula: C₆H₅CO₂(CH₂)₄Cl
• CAS Number: 946-02-1
• Molecular Weight: 212.67
• MDL number: MFCD00019005
• UNSPSC Code: 12352100
• PubChem Substance ID: 24864349

Properties

• Assay: 97%
• refractive index: n20/D 1.519 (lit.)
• bp: 176-178 °C/20 mmHg (lit.)
• density: 1.143 g/mL at 25 °C (lit.)
• SMILES string: ClCCCCOC(=O)c1ccccc1
• InChI: 1S/C11H13ClO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
• InChI key: XFFQVVCNZAYQSJ-UHFFFAOYSA-N

Description

General description

4-Chlorobutyl benzoate is an ω-chloroalkyl ester. Its synthesis has been reported.[1],[2] The ¹H and ¹³C-NMR spectrum of 4-chlorobutyl benzoate have been investigated.[2]

Application

4-Chlorobutyl benzoate may be used in the synthesis of 4-fluorobutyl benzoate (yield=14%).[3]

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves