CAS
94133-58-1 Purity
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94133-58-1 Purity
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Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate
CAS
94133-61-6
Catalog Number
ACM94133616
Category
Other Products
Molecular Weight
253.090420 [g/mol]
Molecular Formula
C8H13BrO4
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Specification
Synonyms
EINECS 302-722-4, CID594521, Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate, 1,3-Dioxolane-2-acetic acid, 2-(bromomethyl)-, ethyl ester, (2-Bromomethyl-[1,3]dioxolan-2-yl)-acetic acid, ethyl ester, 94133-61-6
IUPAC Name
ethyl 2-[2-(bromomethyl)-1,3-dioxolan-2-yl]acetate
Canonical SMILES
CCOC(=O)CC1(OCCO1)CBr
InChI Key
WDFFBKCRZJATND-UHFFFAOYSA-N
Boiling Point
278.2ºC at 760mmHg
Flash Point
122.1ºC
Density
1.425g/cm³
EC Number
302-722-4
Exact Mass
252.00000
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The molecular formula is C8H13BrO4.
What is the IUPAC name of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The IUPAC name is ethyl 2-[2-(bromomethyl)-1,3-dioxolan-2-yl]acetate.
What is the InChI of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The InChI is InChI=1S/C8H13BrO4/c1-2-11-7(10)5-8(6-9)12-3-4-13-8/h2-6H2,1H3.
What is the InChIKey of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The InChIKey is WDFFBKCRZJATND-UHFFFAOYSA-N.
What is the canonical SMILES of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The canonical SMILES is CCOC(=O)CC1(OCCO1)CBr.
What is the molecular weight of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The molecular weight is 253.09 g/mol.
What is the CAS number of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The CAS number is 94133-61-6.
What is the European Community (EC) number of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The European Community (EC) number is 302-722-4.
What is the DSSTox Substance ID of Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate?
The DSSTox Substance ID is DTXSID10240672.
Is Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate a canonicalized compound?
Yes, Ethyl 2-(bromomethyl)-1,3-dioxolane-2-acetate is canonicalized.
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