methanesulfonyl bromide

• ChemBase ID: 156414
• Molecular Formular: CH3BrO2S
• Molecular Mass: 159.00232
• Monoisotopic Mass: 157.90371234
• SMILES: CS(=O)(=O)Br
• Canonical SMILES: CS(=O)(=O)Br
• InChI: InChI=1S/CH3BrO2S/c1-5(2,3)4/h1H3
• InChIKey: ITYJDNHFRZSTJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methanesulfonyl bromide
• IUPAC Traditional name: methanesulfonyl bromide
• Synonyms: Mesyl bromide; Methanesulfonyl bromide; 甲磺酰溴; 甲基磺酰氯

Database IDs

• CAS Number: 41138-92-5
• MDL Number: MFCD05865252
• PubChem SID: 162250552; 24845776
• PubChem CID: 190026

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.04492447
• LogD (pH = 7.4): -0.04492447
• Log P: -0.04492447
• Molar Refractivity: 22.7021 cm^3
• Polarizability: 10.011984 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.954 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.510

Safety Information

• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3390
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 26/28-35
• Safety Statements: 26-28-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H314-H330
• GHS Precautionary statements: P260-P264-P280-P284-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 3390 6.1/PG 1

Product Information

• Purity: ≥98.0%
• Empirical Formula (Hill Notation): CH3BrO2S