propanoic acid hydrochloride

• ChemBase ID: 155964
• Molecular Formular: C3H7ClO2
• Molecular Mass: 110.53948
• Monoisotopic Mass: 110.01345714
• SMILES: CCC(=O)O.Cl
• Canonical SMILES: CCC(=O)O.Cl
• InChI: InChI=1S/C3H6O2.ClH/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H
• InChIKey: YYFIGOPUHPDIBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanoic acid hydrochloride
• IUPAC Traditional name: propanoic acid hydrochloride
• Synonyms: Hydrochloric acid - propionic acid solution; 盐酸 - 丙酸 溶液

Database IDs

• CAS Number: 37262-38-7
• MDL Number: MFCD00083164
• PubChem SID: 162250102
• PubChem CID: 18791930

CALCULATED PROPERTIES

• Acid pKa: 4.754671
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3392157
• LogD (pH = 7.4): -2.115821
• Log P: 0.47719014
• Molar Refractivity: 17.2706 cm^3
• Polarizability: 6.8326755 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3265 8/PG 2

Product Information

• Grade: for protein sequence analysis
• Quality: ampule