Ethyl (3-methyl-1H-pyrazol-1-yl)acetate - CAS 934172-61-9

Catalog:	BB046154
Product Name:	Ethyl (3-methyl-1H-pyrazol-1-yl)acetate
CAS:	934172-61-9
Synonyms:	ethyl 2-(3-methyl-1H-pyrazol-1-yl)acetate; (3-Methyl-pyrazol-1-yl)-acetic acid ethyl ester; 1H-Pyrazole-1-acetic acid, 3-methyl-, ethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 2-(3-methylpyrazol-1-yl)acetate
Description:	Ethyl (3-methyl-1H-pyrazol-1-yl)acetate (CAS# 934172-61-9 ) is a useful research chemical.
Molecular Weight:	168.19
Molecular Formula:	C8H12N2O2
Canonical SMILES:	CCOC(=O)CN1C=CC(=N1)C
InChI:	InChI=1S/C8H12N2O2/c1-3-12-8(11)6-10-5-4-7(2)9-10/h4-5H,3,6H2,1-2H3
InChI Key:	PPCZCRHUBFHKQG-UHFFFAOYSA-N
Boiling Point:	252.3±23.0 °C at 760 mmHg
Density:	1.11±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.08987763
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.08987763
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1