CAS 54730-18-6 Bromomethanesulfonyl bromide (HCID 10977482)

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Basic information

CAS: 54730-18-6
Standard SMILES: O=S(=O)(Br)CBr
InChIKey: ZUQDPSRFJGYOPL-UHFFFAOYSA-N
Molecular formula: CH2Br2O2S
Average molar mass: 237.9 g/mol
Monoisotopic mass: 235.8142245

Names & identifiers

Preferred name: Bromomethanesulfonyl bromide
IUPAC: bromomethanesulfonyl bromide
English name: Bromomethanesulphonylbromide
Molecular formula: CH2Br2O2S
Molecular weight: 237.9

Names & synonyms

bromomethanesulfonyl bromide54730-18-6DTXSID20450528RefChem:330304DTXCID70401348856-305-1Bromomethanesulphonylbromidebromo-methanesulfonyl bromidebromomethanesulfonylbromidebromomethylsulfonyl bromideSCHEMBL907804ZUQDPSRFJGYOPL-UHFFFAOYSA-N

Show more names

Methanesulfonyl bromide, 1-bromo-

AKOS026729815EN300-124564bromomethanesulfonyl bromide, 54730-18-6, bromo-methanesulfonyl bromide, CTK5A2482, AG-F-90812

Database identifiers

CAS: 54730-18-6
PubChem CID: 10977482
DTXSID: DTXSID20450528
EC Number: 856-305-1
Nikkaji: J1.192.491C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 80 °C · 80 °C
Density: 2.573 · 2.573±0.06 g/cm3(Predicted)
solubility: 2 Cl2, · sol CH2Cl2, Et2O; insol H2O.
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H314-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H314-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501