3-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid
[CAS# 1446711-81-4]

Identification

• Name: 3-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid
• Synonyms: Acoramidis; AG 10
• Molecular Formula: C₁₅H₁₇FN₂O₃
• Molecular Weight: 292.31
• CAS Registry Number: 1446711-81-4
• EC Number: 950-296-9
• SMILES: O=C(O)C1=CC=C(F)C(OCCCC=2C(=NNC2C)C)=C1

Properties

• Solubility: Insoluble (4.7E^-3 g/L g/L) (25 ºC), Calc.^*
• pKa: 3.98±0.10 (Most acidic 25 ºC), Calc.^*
• Density: 1.282±0.06 g/cm³ (20 ºC 760 Torr), Calc.^*
• Boiling point: 542.5±50.0 ºC (760 Torr), Calc.^*
• Flash point: 281.9±30.1 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2022 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07
• Hazard Statements: H315-H319-H335
• Precautionary Statements: P261-P264-P264+P265-P271-P280-P302+P352-P304+P340-P305+P351+P338-P319-P321-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Eye irritation	Eye Irrit.	2A	H319
Skin irritation	Skin Irrit.	2	H315
Specific target organ toxicity - single exposure	STOT SE	3	H335