5-Chloro-3-methyl-4-nitro-1H-pyrazole - CAS 6814-58-0

Catalog:	BB033480
Product Name:	5-Chloro-3-methyl-4-nitro-1H-pyrazole
CAS:	6814-58-0
Synonyms:	3-chloro-5-methyl-4-nitro-1H-pyrazole; 3-chloro-5-methyl-4-nitro-1H-pyrazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-chloro-5-methyl-4-nitro-1H-pyrazole
Description:	5-Chloro-3-methyl-4-nitro-1H-pyrazole (CAS# 6814-58-0) is a pyrazole-derived plant growth regulator used as a citrus abscission agent.
Molecular Weight:	161.55
Molecular Formula:	C4H4ClN3O2
Canonical SMILES:	CC1=C(C(=NN1)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C4H4ClN3O2/c1-2-3(8(9)10)4(5)7-6-2/h1H3,(H,6,7)
InChI Key:	ZCHRCALASPNJEQ-UHFFFAOYSA-N
Boiling Point:	366.2 °C at 760 mmHg
Density:	1.598 g/cm³
MDL:	MFCD00462202
LogP:	1.80290

Publication Number	Title	Priority Date
US-11147982-B1	Method and system for thermal stimulation of targeted neural circuits for neurodegenerative disorders	20210505
CN-112834647-A	Method for determining 297 pesticide residues by combining pretreatment technology of high-oil complex matrix sample with GC-MSMS (gas chromatography-metal-semiconductor mass spectrometry)	20201231
CN-111978961-A	Preparation method of phosphate luminescent material with adjustable luminescent color and luminescent material prepared by method	20200910
CN-113367128-A	Composition containing R-type oxadiazolyl aryl formamide compound and safener and application thereof	20200309
WO-2021099350-A1	Composition comprising azole fungicides and fatty acid amides	20191118

PMID	Publication Date	Title	Journal
22407645	20120501	Gene expression in Citrus sinensis fruit tissues harvested from huanglongbing-infected trees: comparison with girdled fruit	Journal of experimental botany
22189018	20120115	PCR-ready human DNA extraction from urine samples using magnetic nanoparticles	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences
20388744	20100501	Light controls phospholipase A2alpha and beta gene expression in Citrus sinensis	Journal of experimental botany
19852773	20091023	Comparative transcriptional survey between laser-microdissected cells from laminar abscission zone and petiolar cortical tissue during ethylene-promoted abscission in citrus leaves	BMC plant biology
18799715	20080101	CsPLDalpha1 and CsPLDgamma1 are differentially induced during leaf and fruit abscission and diurnally regulated in Citrus sinensis	Journal of experimental botany

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Related Functional Groups

Pyrazoles

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(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[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
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H331 (97.37%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P301+P317, P304+P340, P316, P321, P330, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.9992041
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.9992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4