2-Butyl-5-nitrobenzofuran - CAS 133238-87-6

Catalog:	BB007711
Product Name:	2-Butyl-5-nitrobenzofuran
CAS:	133238-87-6
Synonyms:	2-butyl-5-nitrobenzofuran; 2-butyl-5-nitro-1-benzofuran

Technical Data

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Computed Properties

IUPAC Name:	2-butyl-5-nitro-1-benzofuran
Description:	Dronedarone intermediate.
Molecular Weight:	219.24
Molecular Formula:	C12H13NO3
Canonical SMILES:	CCCCC1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI:	InChI=1S/C12H13NO3/c1-2-3-4-11-8-9-7-10(13(14)15)5-6-12(9)16-11/h5-8H,2-4H2,1H3
InChI Key:	XGAJABPTUOLUAE-UHFFFAOYSA-N
Appearance:	Bright yellow low melting solid
Storage:	Sealed in dry, Room Temperature
LogP:	4.20680

Publication Number	Title	Priority Date
CN-111393336-A	Sulfonamide compound, and metal-free catalysis construction method and application thereof	20200309
CN-109970693-A	A kind of preparation method of dronedarone key intermediate	20171228
CN-109384754-A	A kind of preparation method of dronedarone hydrochloride	20170814
CN-109384754-B	Preparation method of dronedarone hydrochloride	20170814
CN-106892886-A	A kind of preparation method of dronedarone hydrochloride	20170413

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Related Functional Groups

Benzofuran/Benzothiophene

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N-(9,9-Dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
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GHS Hazard Statement:	H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.08954328
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	59 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9