Nitrocyclobutane - CAS 2625-41-4

Catalog:	BB019216
Product Name:	Nitrocyclobutane
CAS:	2625-41-4
Synonyms:	nitrocyclobutane; nitrocyclobutane

Technical Data

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Computed Properties

IUPAC Name:	nitrocyclobutane
Description:	Nitrocyclobutane (CAS# 2625-41-4) is a useful research chemical.
Molecular Weight:	101.10
Molecular Formula:	C4H7NO2
Canonical SMILES:	C1CC(C1)[N+](=O)[O-]
InChI:	InChI=1S/C4H7NO2/c6-5(7)4-2-1-3-4/h4H,1-3H2
InChI Key:	IPVBXZMWDWJWHR-UHFFFAOYSA-N
Boiling Point:	159.1 °C at 760 mmHg
Density:	1.13 g/cm³
MDL:	MFCD12963566
LogP:	1.33880

Publication Number	Title	Priority Date
WO-2021206876-A1	Inhibitors of norovirus and coronavirus replication	20200410
CN-109438245-A	A kind of nitro replaces the synthetic method of cyclobutane and naphthalenedione class compound	20181217
CN-109438245-B	Synthetic method of nitro-substituted cyclobutane-naphthaline diketone compound	20181217
US-2015357086-A1	Curable composition for electrical machine, and associated method	20140606
US-2015328597-A1	Zwitterion-functionalized block copolymer membranes and associated block copolymer composition	20140516

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	82.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.047678466
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	101.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9