5-(4-Nitrophenyl)pyrazole - CAS 20583-31-7

Catalog:	BB053494
Product Name:	5-(4-Nitrophenyl)pyrazole
CAS:	20583-31-7
Synonyms:	3-(4-nitrophenyl)-1H-pyrazole; p-nitrophenylpyrazole; 3-(4-nitrophenyl)-pyrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-(4-nitrophenyl)-1H-pyrazole
Molecular Weight:	189.17
Molecular Formula:	C9H7N3O2
Canonical SMILES:	C1=CC(=CC=C1C2=CC=NN2)[N+](=O)[O-]
InChI:	InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-6-10-11-9/h1-6H,(H,10,11)
InChI Key:	IPIYADCDDIUVPS-UHFFFAOYSA-N
Boiling Point:	430ºC at 760 mmHg
Melting Point:	195-197ºC
Purity:	95%
Density:	1.369 g/cm3

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Related Functional Groups

Arenes

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[30879-49-3]
2'-Nitro-5'-hydroxyacetophenone
[91496-98-9]
2-(Indan-5-yloxy)-propionic acid

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[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
[890092-87-2]
(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
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine

GHS Hazard Statement:	H302+H312+H332 (16.67%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (33.33%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (33.33%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.053826475
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.053826475
Rotatable Bond Count:	1
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7