Methanesulfonyl bromide

HCID 190026

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 41138-92-5
Standard SMILES: CS(=O)(=O)Br
InChIKey: ITYJDNHFRZSTJY-UHFFFAOYSA-N
Molecular formula: CH3BrO2S
Average molar mass: 159 g/mol
Monoisotopic mass: 157.90371

Names & identifiers

Preferred name: Methanesulfonyl bromide
IUPAC: methanesulfonyl bromide
English name: METHANESULFONYL BROMIDE
Molecular formula: CH3BrO2S
Molecular weight: 159

Names & synonyms

Methanesulfonyl bromide41138-92-5DTXSID50276697RefChem:156943DTXCID10227943628-454-0Mesyl bromideMethylsulfonyl bromidemethanesulfonic acid bromideSCHEMBL322258SCHEMBL1727920ITYJDNHFRZSTJY-UHFFFAOYSA-N

Show more names

Methanesulfonyl bromide (6CI,7CI,9CI)

Methanesulfonyl bromide, >=98.0%AR-1E0039EN300-196868

Database identifiers

CAS: 41138-92-5
PubChem CID: 190026
DTXSID: DTXSID50276697
EC Number: 628-454-0
Nikkaji: J377.114H

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 95

Physicochemical properties

Boiling point: 72 · 72-73 °C(Press: 15 Torr)
Density: 1.954 g/mL · 1.954 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.510
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 300 · H300+H330-H314
Precautionary statements: 280 · P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes: T+
Risk Statements: 26 · 26/28-35
Safety Statements: 26 · 26-28-36/37/39-45
RIDADR: 3390 · UN 3390 6.1/PG 1
WGK Germany: 3 · 3
F: 8 · 8-10-21

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 2 (100%)；Skin Corr. 1A (100%)；Acute Tox. 2 (100%)

Safety data

F: 8-10-21
wgk: 3
ridadr: UN 3390 6.1/PG 1
risk_code: 26/28-35
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T+
safety_code: 26-28-36/37/39-45
Hazard statements: H300+H330-H314
Precautionary statements: P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications

UsesMethanesulfonyl Bromide is a reagent used for research purposed. Methanesulfonyl Bromide has been applied in 1,3 dipolar cycloaddition reactions to produce fused compound required for DNA binding studies