2,3-dihydro-1H-indene-5-sulfonyl chloride

• ChemBase ID: 14385
• Molecular Formular: C9H9ClO2S
• Molecular Mass: 216.68456
• Monoisotopic Mass: 216.00117821
• SMILES: c12c(ccc(c1)S(=O)(=O)Cl)CCC2
• Canonical SMILES: ClS(=O)(=O)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
• InChIKey: SWLIXMXSCZYVTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indene-5-sulfonyl chloride
• IUPAC Traditional name: 2,3-dihydro-1H-indene-5-sulfonyl chloride
• Synonyms: 5-indanesulfonoyl chloride; Indan-5-sulfonyl chloride; 2,3-Dihydro-1H-indene-5-sulphonyl chloride; 5-(Chlorosulphonyl)indane; Indane-5-sulphonyl chloride; 2,3-dihydro-1H-indene-5-sulfonyl chloride; indane-5-sulfonyl chloride; Indane-5-sulfonyl chloride; 茚满-5-磺酰氯

Database IDs

• CAS Number: 52205-85-3
• MDL Number: MFCD05237217
• PubChem SID: 160977692
• PubChem CID: 3142583

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9272344
• LogD (pH = 7.4): 2.9272344
• Log P: 2.9272344
• Molar Refractivity: 53.1334 cm^3
• Polarizability: 21.026382 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33 - 42°C; 47.8-48.8°C; 48 - 49 °C
• Hydrophobicity(logP): 1.183

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45-60
• TSCA Listed: false; 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: >95%; 95%; 97%