1-Methyl-3,4-dinitro-1H-pyrazole - CAS 66296-67-1

Catalog:	BB049531
Product Name:	1-Methyl-3,4-dinitro-1H-pyrazole
CAS:	66296-67-1
Synonyms:	1-methyl-3,4-dinitro-1H-pyrazole

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-methyl-3,4-dinitropyrazole
Description:	1-Methyl-3,4-dinitro-1H-pyrazole (CAS# 66296-67-1 ) is a useful research chemical.
Molecular Weight:	172.1
Molecular Formula:	C4H4N4O4
Canonical SMILES:	CN1C=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-]
InChI:	InChI=1S/C4H4N4O4/c1-6-2-3(7(9)10)4(5-6)8(11)12/h2H,1H3
InChI Key:	VDTOUIPOAUVOLP-UHFFFAOYSA-N
Boiling Point:	378.0±22.0 °C at 760 mmHg
Density:	1.8±0.1 g/cm³

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Related Functional Groups

Nitrogen Compounds

[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[614-16-4]
Benzoylacetonitrile
[1392212-02-0]
Benzyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[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]; H312 (100%): 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 (100%): 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:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.02325462
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.02325462
Rotatable Bond Count:	0
Topological Polar Surface Area:	110
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2