393304

Ethyl 7-bromoheptanoate

97%

• Linear Formula: Br(CH₂)₆CO₂C₂H₅
• CAS Number: 29823-18-5
• Molecular Weight: 237.13
• EC Number: 249-883-6
• MDL number: MFCD00037103
• UNSPSC Code: 12352100
• PubChem Substance ID: 24864513
• NACRES: NA.22

Properties

• assay: 97%
• refractive index: n20/D 1.459 (lit.)
• bp: 112 °C/5 mmHg (lit.)
• mp: 29 °C (lit.)
• density: 1.217 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)CCCCCCBr
• InChI: 1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3
• InChI key: OOBFNDGMAGSNKA-UHFFFAOYSA-N

Description

General description

Ethyl 7-bromoheptanoate is a bromoester. It is used as an alkylating agent for organic compounds. It participates in the synthesis of ω-chain shortened prostaglandins.

Application

Ethyl 7-bromoheptanoate may be used in the following studies:

• As a starting material in the synthesis of benzyl 7-iodoheptanoate.
• As one of the reactant in the synthesis of diethyl 7,7′-(2,5-diiodo-1,4-phenylene)bis(oxy)diheptanoate.
• As one of the reagent in the synthesis of CarnDOD-7C, a carnitine-derived nitrone.
• As an alkylating agent in the alkylation of ethyl 3-oxoglutarate to form 2-(6-ethoxycarbonylhexyl)-3-oxoglutarate.
• Synthesis of 1-substituted cyclopentadiene by alkylating lithium cyclopentadienide.5

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: 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: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter