3,5-Dinitro-1H-pyrazole - CAS 38858-89-8

Catalog:	BB053560
Product Name:	3,5-Dinitro-1H-pyrazole
CAS:	38858-89-8
Synonyms:	3,5-Dinitropyrazole; dinitropyrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3,5-dinitro-1H-pyrazole
Molecular Weight:	158.07
Molecular Formula:	C3H2N4O4
Canonical SMILES:	C1=C(NN=C1[N+](=O)[O-])[N+](=O)[O-]
InChI:	InChI=1S/C3H2N4O4/c8-6(9)2-1-3(5-4-2)7(10)11/h1H,(H,4,5)
InChI Key:	UKZXCZWGGXVKNN-UHFFFAOYSA-N
Boiling Point:	416.6±25.0 °C at 760 mmHg
Purity:	95%
Density:	1.9±0.1 g/cm3
Appearance:	Solid

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

Pyrazoles

[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.00760456
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.00760456
Rotatable Bond Count:	0
Topological Polar Surface Area:	120
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5