Benzene, 1-bromo-4-(diethoxymethyl)-


Chemical Name: Benzene, 1-bromo-4-(diethoxymethyl)-
CAS Number: 34421-94-8
Product Number: AG003KZF(AGN-PC-0JUYMT)
Synonyms:
MDL No: MFCD01863514
Molecular Formula: C11H15BrO2
Molecular Weight: 259.1396

Identification/Properties


Properties
BP:
276.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.513(lit.)
Computed Properties
Molecular Weight:
259.143g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
258.026g/mol
Monoisotopic Mass:
258.026g/mol
Topological Polar Surface Area:
18.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
138
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The chemical structure of Benzene, 1-bromo-4-(diethoxymethyl)- (C11H15BrO2) is as follows: ``` H | H-C-C-CH2-O-CH2-CH3 | | | | H-C-C-Br H H | | H H ``` This structure represents a benzene ring with a bromine atom at the 1-position and a diethoxymethyl group at the 4-position.