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

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline

Oxygen Compounds

[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde

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