4-(pyridin-3-yloxy)benzene-1-sulfonyl chloride hydrochloride

• ChemBase ID: 76157
• Molecular Formular: C11H9Cl2NO3S
• Molecular Mass: 306.16506
• Monoisotopic Mass: 304.96801951
• SMILES: S(=O)(=O)(c1ccc(cc1)Oc1cnccc1)Cl.Cl
• Canonical SMILES: ClS(=O)(=O)c1ccc(cc1)Oc1cccnc1.Cl
• InChI: InChI=1S/C11H8ClNO3S.ClH/c12-17(14,15)11-5-3-9(4-6-11)16-10-2-1-7-13-8-10;/h1-8H;1H
• InChIKey: YZMZUVZCTQBNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-3-yloxy)benzene-1-sulfonyl chloride hydrochloride
• IUPAC Traditional name: 4-(pyridin-3-yloxy)benzenesulfonyl chloride hydrochloride
• Synonyms: 4-(3-Pyridyloxy)benzenesulfonyl chloride hydrochloride; 3-[4-(Chlorosulphonyl)phenoxy]pyridine hydrochloride; 4-(Pyridin-3-yloxy)phenylsulphonyl chloride hydrochloride; 4-(-3-吡啶氧基)苯磺酰氯 盐酸盐

Database IDs

• CAS Number: 1171901-60-2
• MDL Number: MFCD01862557
• PubChem SID: 162041072
• PubChem CID: 17998866

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1548994
• LogD (pH = 7.4): 2.201527
• Log P: 2.2021637
• Molar Refractivity: 64.3361 cm^3
• Polarizability: 25.831055 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: UN1759
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%