1-(Difluoromethyl)-4-nitropyrazole - CAS 956477-64-8

Catalog:	BB041790
Product Name:	1-(Difluoromethyl)-4-nitropyrazole
CAS:	956477-64-8
Synonyms:	1-(difluoromethyl)-4-nitropyrazole; 1-(difluoromethyl)-4-nitropyrazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(difluoromethyl)-4-nitropyrazole
Description:	1-(Difluoromethyl)-4-nitropyrazole (CAS# 956477-64-8) is a useful research chemical.
Molecular Weight:	163.08
Molecular Formula:	C4H3F2N3O2
Canonical SMILES:	C1=C(C=NN1C(F)F)[N+](=O)[O-]
InChI:	InChI=1S/C4H3F2N3O2/c5-4(6)8-2-3(1-7-8)9(10)11/h1-2,4H
InChI Key:	VCURCUIEDUUUEA-UHFFFAOYSA-N
Boiling Point:	87-90 °C (20 mmHg)
LogP:	1.70960

Publication Number	Title	Priority Date
CN-111732535-A	Photochemical synthesis method of heteroaryl amine compound	20200810
CN-111732535-B	Photochemical synthesis method of heteroaryl amine compound	20200810
WO-2021207659-A1	Crystalline forms of (9r, 135s)-13- {4-[5-chloro-2-(4-chloro-1h,2,3- triazol- 1 -yl)phenyl] -6-oxo- 1,6-dihydropyrimidin- 1-yl}-3-(difluoromethyl)-9-methyl-3,4,7,15- tetraazatricyclo [ 12.3.1.02Â·6] octadeca- 1(18), 2(6), 4, 14, 16-pentaen-8-one	20200410
WO-2021147953-A1	Pyrimido five-membered ring derivative and application thereof	20200121
CN-112654605-A	Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof	20190809

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Related Functional Groups

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.01933267
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.01933267
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9