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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Strict process parameter control to ensure product quality

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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