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4-Nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole

4-Nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole - CAS 1795502-95-2

Catalog:	BB052419
Product Name:	4-Nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole
CAS:	1795502-95-2
Synonyms:	4-nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-nitro-5-(2,2,2-trifluoroethoxy)-1H-pyrazole
Molecular Weight:	211.10
Molecular Formula:	C5H4F3N3O3
Canonical SMILES:	C1=NNC(=C1[N+](=O)[O-])OCC(F)(F)F
InChI:	InChI=1S/C5H4F3N3O3/c6-5(7,8)2-14-4-3(11(12)13)1-9-10-4/h1H,2H2,(H,9,10)
InChI Key:	SQBQEISGQOXJMX-UHFFFAOYSA-N

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Related Functional Groups

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]
2,4-Difluorotoluene
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Nitrogen Compounds

[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[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
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.02047548
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.02047548
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5