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Ethyl 3-(difluoromethyl)-1H-pyrazole-5-carboxylate

Ethyl 3-(difluoromethyl)-1H-pyrazole-5-carboxylate - CAS 936033-53-3

Catalog:	BB051764
Product Name:	Ethyl 3-(difluoromethyl)-1H-pyrazole-5-carboxylate
CAS:	936033-53-3
Synonyms:	5-difluoromethylpyrazole-3-carboxylic acid ethyl ester; ethyl 3-(difluoromethyl)pyrazole-5-carboxylate; 1H-pyrazole-5-carboxylic acid, 3-(difluoromethyl)-, ethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 5-(difluoromethyl)-1H-pyrazole-3-carboxylate
Molecular Weight:	190.15
Molecular Formula:	C7H8F2N2O2
Canonical SMILES:	CCOC(=O)C1=NNC(=C1)C(F)F
InChI:	InChI=1S/C7H8F2N2O2/c1-2-13-7(12)5-3-4(6(8)9)10-11-5/h3,6H,2H2,1H3,(H,10,11)
InChI Key:	SITMASZMBKIGMK-UHFFFAOYSA-N
Boiling Point:	317.5±42.0 °C at 760 mmHg
Purity:	95%
Density:	1.326±0.06 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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Fluorinated Building Blocks

[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole

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:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.05538383
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.05538383
Rotatable Bond Count:	4
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4