Ethyl 5-Bromo-1H-pyrazole-3-carboxylate - CAS 1392208-46-6

Catalog:	BB008908
Product Name:	Ethyl 5-Bromo-1H-pyrazole-3-carboxylate
CAS:	1392208-46-6
Synonyms:	5-bromo-1H-pyrazole-3-carboxylic acid ethyl ester; ethyl 5-bromo-1H-pyrazole-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-bromo-1H-pyrazole-3-carboxylate
Description:	Ethyl 5-Bromo-1H-pyrazole-3-carboxylate (CAS# 1392208-46-6) is a useful research chemical compound.
Molecular Weight:	219.04
Molecular Formula:	C6H7BrN2O2
Canonical SMILES:	CCOC(=O)C1=NNC(=C1)Br
InChI:	InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
InChI Key:	WTWIBLHEPZYWRK-UHFFFAOYSA-N
LogP:	1.34890

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.96909
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.96909
Rotatable Bond Count:	3
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8