113023-73-7

Basic information

• Product Name: 4-(1-BROMOETHYL)BENZOIC ACID
• Synonyms: 4-(1-BROMOETHYL)BENZOIC ACID;4-(1-BROMOETHYL)BENZOIC ACID{Rare Chemical Library};4-(1-Bromoethyl)
• CAS NO: 113023-73-7
• Molecular Formula: C₉H₉BrO₂
• Molecular Weight: 229.07
• EINECS: -0
• Mol File: 113023-73-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 155-156°C
• Boiling Point: 324.3 °C at 760 mmHg
• Flash Point: 150 °C
• Appearance: Solid
• Density: 1.54 g/cm³
• Vapor Pressure: 0.000101mmHg at 25°C
• Refractive Index: 1.594
• Storage Temp.: 2-8°C
• PKA: 4.12±0.10(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 2084039
• CAS DataBase Reference: 4-(1-BROMOETHYL)BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1-BROMOETHYL)BENZOIC ACID(113023-73-7)
• EPA Substance Registry System: 4-(1-BROMOETHYL)BENZOIC ACID(113023-73-7)

Safety Data

• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: 3261
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 113023-73-7(Hazardous Substances Data)

Usage

Uses

4-(1-Bromoethyl)benzoic acid acts as a reagent to prepare 4-(1-bromo-ethyl)-benzoic acid ethyl ester. It is also used as an intermediate for active pharmaceutical ingredient as well as in chemical synthesis.

InChI:InChI=1/C9H9BrO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)

Upstream product

• 619-64-7 p-ethylbenzoic acid 

Relevant articles and documents

A novel series of indazole-/indole-based glucagon receptor antagonists

A novel, potent series of glucagon receptor antagonists (GRAs) was discovered. These indazole- and indole-based compounds were designed on an earlier pyrazole-based GRA lead MK-0893. Structure-activity relationship (SAR) studies were focused on the C3 and C6 positions of the indazole core, as well as the benzylic position on the N-1 of indazole. Multiple potent GRAs were identified with excellent in vitro profiles and good pharmacokinetics in rat. Among them, GRA 16d was found to be orally active in blunting glucagon induced glucose excursion in an acute glucagon challenge model in glucagon receptor humanized (hGCGR) mice at 1, 3 and 10 mg/kg (mpk), and significantly lowered acute glucose levels in hGCGR ob/ob mice at 3 mpk dose.