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41138-92-5 molecular structure
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methanesulfonyl bromide

ChemBase ID: 156414
Molecular Formular: CH3BrO2S
Molecular Mass: 159.00232
Monoisotopic Mass: 157.90371234
SMILES and InChIs

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

Cite this record

CBID:156414 http://www.chembase.cn/molecule-156414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methanesulfonyl bromide
IUPAC Traditional name
methanesulfonyl bromide
Synonyms
Mesyl bromide
Methanesulfonyl bromide
甲磺酰溴
甲基磺酰氯
CAS Number
41138-92-5
MDL Number
MFCD05865252
PubChem SID
24845776
162250552
PubChem CID
190026

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
04825 external link Add to cart Please log in.
Data Source Data ID
PubChem 190026 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.04492447  LogD (pH = 7.4) -0.04492447 
Log P -0.04492447  Molar Refractivity 22.7021 cm3
Polarizability 10.011984 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.954 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.510 expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
3390 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
Risk Statements
26/28-35 expand Show data source
Safety Statements
26-28-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H314-H330 expand Show data source
GHS Precautionary statements
P260-P264-P280-P284-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3390 6.1/PG 1 expand Show data source
Purity
≥98.0% expand Show data source
Empirical Formula (Hill Notation)
CH3BrO2S expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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