Dimethyl 1H-pyrazole-4,5-dicarboxylate - CAS 33090-46-9

Catalog:	BB052119
Product Name:	Dimethyl 1H-pyrazole-4,5-dicarboxylate
CAS:	33090-46-9
Synonyms:	1H-Pyrazole-3,4-dicarboxylic acid dimethyl ester; methyl 3-(methoxycarbonyl)pyrazole-4-carboxylate; 4,5-dimethyl 1H-pyrazole-4,5-dicarboxylate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	dimethyl 1H-pyrazole-4,5-dicarboxylate
Molecular Weight:	184.15
Molecular Formula:	C7H8N2O4
Canonical SMILES:	COC(=O)C1=C(NN=C1)C(=O)OC
InChI:	InChI=1S/C7H8N2O4/c1-12-6(10)4-3-8-9-5(4)7(11)13-2/h3H,1-2H3,(H,8,9)
InChI Key:	MBPCNHQXWVYNJQ-UHFFFAOYSA-N
Boiling Point:	304.0±22.0 °C at 760 mmHg
Purity:	96%
Density:	1.3±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[4313-03-5]
2,4-Heptadienal
[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[1141669-47-7]
2-Amino-4-(1-imidazolyl)benzoic Acid
[56517-33-0]
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Nitrogen Compounds

[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
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Oxygen Compounds

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[2960-93-2]
2,2'-Dimethoxy-1,1'-binaphthalene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

Pyrazoles

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1431965-02-4]
4-Amino-1-ethylpyrazole-3-carboxylic acid hydrochloride
[378767-86-3]
5-((3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
[51516-70-2]
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

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:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.04840674
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.04840674
Rotatable Bond Count:	4
Topological Polar Surface Area:	81.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3