Methyl 3,5-Dibromobenzoate
Product Information
Molecular Formula
C8H6Br2O2
Molecular Weight
293.94
Description
Methyl 3,5-Dibromobenzoate (CAS# 51329-15-8) is a useful research chemical.
Synonyms
3,5-dibromobenzoic acid methyl ester; methyl 3,5-dibromobenzoate
IUPAC Name
methyl 3,5-dibromobenzoate
SMILES
COC(=O)C1=CC(=CC(=C1)Br)Br
InChI
InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key
GSMAWUZTAIOCPL-UHFFFAOYSA-N
Boiling Point
294.2±20.0 °C (Predicted)
Melting Point
64-65 °C
Purity
98 %
Density
1.840±0.06 g/cm3(Predicted)
Appearance
White to orange to green powder to crystal
LogP
2.99820
Safety Information
Hazards
H315 H319 H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
3.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
293.87141 g/mol
Monoisotopic Mass
291.87345 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
162
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113801152-A | Method for synthesizing 3-carboxyl-5-hydroxyphenylboronic acid | 2021-08-30 |
| CN-112920418-A | Novel bromine-containing uncoordinated group-containing honeycomb two-dimensional metal organic polyhedral framework compound and synthesis method and application thereof | 2021-01-26 |
| CN-114072399-A | Aromatic formamide compound and preparation method and medical application thereof | 2020-05-25 |
| WO-2021238834-A1 | Arylformamide compound and preparation method and medical use thereof | 2020-05-25 |
| JP-2021070684-A | Method for producing halogen compounds | 2019-10-30 |
| TW-202118754-A | Novel heteroaryl-triazole compounds as pesticides | 2019-07-23 |
| CA-3148216-A1 | Novel heteroaryl-triazole compounds as pesticides | 2019-07-23 |
| JP-2020169287-A | Compounds, precursors, electrolyte membranes, fuel cells, water electrolysis and electrolysis technology | 2019-04-04 |
| WO-2019184866-A1 | Phosphate derivatives and use thereof | 2018-03-30 |
| US-2017088706-A1 | Covalent and supramolecular polymers | 2015-09-28 |
