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343338-26-1 molecular structure
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methyl (2R)-3-(bromozincio)-2-methylpropanoate

ChemBase ID: 145919
Molecular Formular: C5H9BrO2Zn
Molecular Mass: 246.40776
Monoisotopic Mass: 243.90773353
SMILES and InChIs

SMILES:
C[C@@H](C[Zn]Br)C(=O)OC
Canonical SMILES:
C[C@H](C(=O)OC)C[Zn]Br
InChI:
InChI=1S/C5H9O2.BrH.Zn/c1-4(2)5(6)7-3;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1/t4-;;/m1../s1
InChIKey:
ZYPPBSJLXDMOPY-RZFWHQLPSA-M

Cite this record

CBID:145919 http://www.chembase.cn/molecule-145919.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2R)-3-(bromozincio)-2-methylpropanoate
IUPAC Traditional name
methyl (2R)-3-(bromozincio)-2-methylpropanoate
Synonyms
(R)-(+)-3-Methoxy-2-methyl-3-oxopropylzinc bromide solution
(R)-(+)-3-甲氧基-2-甲基-3-氧代丙基溴化锌 溶液
CAS Number
343338-26-1
EC Number
203-726-8
PubChem SID
162240119
24873285
PubChem CID
11160952

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
499498 external link Add to cart Please log in.
Data Source Data ID
PubChem 11160952 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8982  LogD (pH = 7.4) 0.8982 
Log P 0.8982  Molar Refractivity 34.6151 cm3
Polarizability 17.147366 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
1.4 °F expand Show data source
-17 °C expand Show data source
Density
0.968 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
3399 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
4.3 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 3399 4.3/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
Linear Formula
CH3O2CCH(CH3)CH2ZnBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 499498 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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