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95184-07-9 molecular structure
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2-(bromomagnesio)-3-methylthiophene

ChemBase ID: 151858
Molecular Formular: C5H5BrMgS
Molecular Mass: 201.3672
Monoisotopic Mass: 199.91457486
SMILES and InChIs

SMILES:
Cc1ccsc1[Mg]Br
Canonical SMILES:
Br[Mg]c1sccc1C
InChI:
InChI=1S/C5H5S.BrH.Mg/c1-5-2-3-6-4-5;;/h2-3H,1H3;1H;/q;;+1/p-1
InChIKey:
OVSYYYAKOISBKJ-UHFFFAOYSA-M

Cite this record

CBID:151858 http://www.chembase.cn/molecule-151858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomagnesio)-3-methylthiophene
IUPAC Traditional name
2-(bromomagnesio)-3-methylthiophene
Synonyms
3-Methyl-2-thienylmagnesium bromide solution
3-甲基-2-噻吩基溴化镁 溶液
CAS Number
95184-07-9
EC Number
203-726-8
MDL Number
MFCD01319916
PubChem SID
162246004
24880017
PubChem CID
13404730

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
562211 external link Add to cart Please log in.
Data Source Data ID
PubChem 13404730 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8484  LogD (pH = 7.4) 1.8484 
Log P 1.8484  Molar Refractivity 35.5164 cm3
Polarizability 15.520819 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
65 °C expand Show data source
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.951 g/mL at 25 °C expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2924 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-19-36/37 expand Show data source
Safety Statements
16-29-33 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 2924 3/PG 2 expand Show data source
Supplemental Hazard Statements
May form explosive peroxides. expand Show data source
Storage Temperature
2-8°C expand Show data source
Concentration
0.5 M in THF expand Show data source
Empirical Formula (Hill Notation)
C5H5BrMgS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 562211 external link
Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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