phenylarsonic acid

• ChemBase ID: 109439
• Molecular Formular: C6H7AsO3
• Molecular Mass: 202.03958
• Monoisotopic Mass: 201.96111508
• SMILES: O[As](=O)(O)c1ccccc1
• Canonical SMILES: O[As](=O)(c1ccccc1)O
• InChI: InChI=1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)
• InChIKey: LVKZSFMYNWRPJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylarsonic acid
• IUPAC Traditional name: phenylarsonic acid
• Synonyms: BENZENEARSONIC ACID; Phenylarsonic acid; Benzenearsonic acid; Phenylarsonic acid; 苯胂酸

Database IDs

• CAS Number: 98-05-5
• EC Number: 202-631-9
• MDL Number: MFCD00002097
• Beilstein Number: 2935741
• Merck Index: 141067
• PubChem SID: 162095320
• PubChem CID: 7365
• CHEBI ID: 29851
• CHEMBL: 364571
• Chemspider ID: 7087
• Gmelin ID: 131185
• MeSH Name: Benzenearsonic+acid
• Wikipedia Title: Phenylarsonic_acid

CALCULATED PROPERTIES

• Acid pKa: 3.459947
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9124092
• LogD (pH = 7.4): -1.3438443
• Log P: 0.9284
• Molar Refractivity: 32.0464 cm^3
• Polarizability: 15.851125 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: low in water
• Apperance: Colourless solid
• Melting Point: 154 - 158°C; 158-162°C dec.
• Density: 1.76 g cm^-3

Safety Information

• RTECS: CY3150000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 1557; UN3465
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 23/25-50/53; R:23/25
• Safety Statements: 20/21-28-45-60-61; S:28-45-20/21
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS09
• Main Hazard: Toxic
• GHS Hazard statements: H301-H331-H400-H410
• GHS Precautionary statements: P261-P301+P310-P321-P304+P340-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05211070

MP Biomedicals Rare Chemical collection