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66-27-3 molecular structure
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methyl methanesulfonate

ChemBase ID: 104305
Molecular Formular: C2H6O3S
Molecular Mass: 110.13224
Monoisotopic Mass: 110.00376505
SMILES and InChIs

SMILES:
COS(=O)(=O)C
Canonical SMILES:
COS(=O)(=O)C
InChI:
InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
InChIKey:
MBABOKRGFJTBAE-UHFFFAOYSA-N

Cite this record

CBID:104305 http://www.chembase.cn/molecule-104305.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl methanesulfonate
IUPAC Traditional name
methyl methanesulfonate
MMS
Synonyms
Methanesulfonic acid methyl ester
MMS
Methyl methanesulfonate
Methyl Mesylate
as-Dimethyl Sulphate
Methyl Methanesulfonate
Methyl Methanesulphonate
METHANESULFONIC ACID METHYL ESTER
METHYL METHANESULFONATE
甲磺酸甲酯
甲基磺酸甲酯
CAS Number
66-27-3
EC Number
200-625-0
MDL Number
MFCD00007557
Beilstein Number
1098586
PubChem SID
24896897
24847934
162091439
24883233
PubChem CID
4156
KEGG ID
C19181
Wikipedia Title
Methyl_methanesulfonate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.58241284  LogD (pH = 7.4) -0.58241284 
Log P -0.58241284  Molar Refractivity 21.0138 cm3
Polarizability 9.431009 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
202-203 °C(lit.) expand Show data source
203 deg. C. at 753 mm Hg expand Show data source
Flash Point
104 °C expand Show data source
104.4°C expand Show data source
219.2 °F expand Show data source
Density
1.3 g/ml expand Show data source
1.3 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.414 expand Show data source
n20/D 1.414(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
PB2625000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2810 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
45-22-36/37/38 expand Show data source
R:22-45 expand Show data source
Safety Statements
53-26-45 expand Show data source
S:36/37/39-53 expand Show data source
EU Classification
T1 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335-H350 expand Show data source
GHS Precautionary statements
P201-P261-P301 + P310-P305 + P351 + P338-P308 + P313 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
~99% (GC) expand Show data source
≥98.0% (GC) expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
certified reference material expand Show data source
purum expand Show data source
TraceCERT® expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3SO3CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02155384 external link
Purity: 99% 1 ml = approx. 1.3 g
MP Biomedicals - 05205518 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - M4016 external link
Principle
DNA 加合物;优先地将甲基加合到 DNA 的 7-鸟嘌呤,也可加合到 3-腺嘌呤和 3-鸟嘌呤。
Sigma Aldrich - 129925 external link
Packaging
5, 25, 100 g in glass bottle
Principle
DNA adduct; adds methyl groups to DNA at 7-guanine preferentially, but also 3-adenine and 3-guanine.
Sigma Aldrich - 64294 external link
Principle
DNA adduct; adds methyl groups to DNA at 7-guanine preferentially, but also 3-adenine and 3-guanine.
Sigma Aldrich - 78697 external link
General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
Principle
DNA adduct; adds methyl groups to DNA at 7-guanine preferentially, but also 3-adenine and 3-guanine.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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