Dimethyl 5-bromoisophthalate - CAS 51760-21-5

Name: Dimethyl 5-bromoisophthalate
Brand: BOC Sciences
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Catalog:	BB027574
Product Name:	Dimethyl 5-bromoisophthalate
CAS:	51760-21-5
Synonyms:	dimethyl 5-bromobenzene-1,3-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	dimethyl 5-bromobenzene-1,3-dicarboxylate
Description:	Dimethyl 5-bromoisophthalate (CAS# 51760-21-5) is a useful research chemical.
Molecular Weight:	273.08
Molecular Formula:	C10H9BrO4
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC
InChI:	InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3
InChI Key:	QUJINGKSNJNXEB-UHFFFAOYSA-N
Boiling Point:	150 °C
Density:	1.505 g/cm³
MDL:	MFCD00078709
LogP:	2.02230

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112300371-A	Polymer based on phenazine tripolymer, preparation method and battery application thereof	20201028
JP-2021155516-A	Thermoplastics and their uses	20200326
WO-2021165195-A1	Heteroaryl-triazole compounds as pesticides	20200218
KR-20210070227-A	Metal-organic polyhedral including metallocene structure and method for preparing the same	20191204
WO-2021073456-A1	Macrocyclic and cage-like molecules based on biphenylarene and derivative compounds, synthesis method therefor and use thereof	20191015

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.96842
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.96842
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3