Methyl 3-Bromofuran-2-carboxylate - CAS 59862-77-0

Catalog:	BB059869
Product Name:	Methyl 3-Bromofuran-2-carboxylate
CAS:	59862-77-0
Synonyms:	3-Bromo-2- furancarboxylic Acid Methyl Ester

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-bromofuran-2-carboxylate
Description:	methyl 3-bromofuran-2-carboxylate (cas# 59862-77-0) is a useful research chemical. It is used in the preparation of amide compounds or their salts for agricultural and horticultural fungicides.
Molecular Weight:	205.01
Molecular Formula:	C6H5O3Br
Canonical SMILES:	COC(=O)C1=C(C=CO1)Br
InChI:	InChI=1S/C6H5BrO3/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChI Key:	GBDHWJDDTHNXNL-UHFFFAOYSA-N
References:	Yamada, K., et al. PCT Int. Appl. (2019), WO 2019168140 A1 20190906.

Publication Number	Title	Priority Date
WO-2021249475-A1	Fused quinazoline derivative, preparation method therefor and application thereof in medicine	20200610
CN-111748338-A	Organic electroluminescent compound, organic electroluminescent device and application thereof	20190329
WO-2019168140-A1	Amide compound or salt thereof, and agricultural and horticultural microbicide containing said compound, and method of using same	20180302
CN-111741951-A	Amide compounds or salts thereof, agricultural and horticultural fungicides containing these compounds, and methods of using these compounds	20180302
EP-3760621-A1	Amide compound or salt thereof, and agricultural and horticultural microbicide containing said compound, and method of using same	20180302
JP-WO2019168140-A1	Amide compounds or salts thereof, agricultural and horticultural fungicides containing these compounds, and their usage	20180302
US-2021000111-A1	Amide compound or salt thereof, agricultural and horticultural microbicide comprising the compound and the salt, and method for using the agricultural and horticultural microbicide	20180302
WO-2018064119-A1	Calpain modulators and therapeutic uses thereof	20160928
US-2014042370-A1	Materials for organic electroluminescent devices	20110418
US-9620722-B2	Materials for organic electroluminescent devices	20110418

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.94221
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.94221
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9