butane-1-sulfonyl chloride

• ChemBase ID: 77549
• Molecular Formular: C4H9ClO2S
• Molecular Mass: 156.63106
• Monoisotopic Mass: 156.00117821
• SMILES: S(=O)(=O)(CCCC)Cl
• Canonical SMILES: CCCCS(=O)(=O)Cl
• InChI: InChI=1S/C4H9ClO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3
• InChIKey: WEDIIKBPDQQQJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butane-1-sulfonyl chloride
• IUPAC Traditional name: 1-butanesulfonyl chloride
• Synonyms: 1-Butylsulfonyl chloride; 1-(Chlorosulphonyl)butane; Butanesulphonyl chloride; 1-Butanesulfonyl chloride; 1-丁烷磺酰氯; 1-丁基磺酰氯

Database IDs

• CAS Number: 2386-60-9
• EC Number: 219-204-8
• MDL Number: MFCD00007464
• Beilstein Number: 1748742
• PubChem SID: 24855985; 162042421
• PubChem CID: 75430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.281111
• LogD (pH = 7.4): 1.281111
• Log P: 1.281111
• Molar Refractivity: 34.1006 cm^3
• Polarizability: 14.265035 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -29°C
• Boiling Point: 80-81 °C/9 mmHg(lit.); 80-81°C; 80-81°C/9mm
• Flash Point: 174.2 °F; 79 °C; 79°C; 79°C(174°F)
• Density: 1.2; 1.208 g/mL at 25 °C(lit.); 1.210
• Refractive Index: 1.4560; n20/D 1.454(lit.)
• Vapor Pressure: 0.5 mmHg ( 20 °C)

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; Moisture Sensitive
• RTECS: EK5950000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-36/37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H227; H314-H335
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: CH3(CH2)3SO2Cl

DETAILS

Sigma Aldrich - 263605

Packaging
5, 25 g in glass bottle