5-Nitrobenzofuran - CAS 18761-31-4

Catalog:	BB014434
Product Name:	5-Nitrobenzofuran
CAS:	18761-31-4
Synonyms:	5-nitrobenzofuran; 5-nitro-1-benzofuran

Technical Data

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Computed Properties

IUPAC Name:	5-nitro-1-benzofuran
Description:	5-Nitrobenzofuran (CAS# 18761-31-4) is a chemical reagent used in the synthesis of internal alkynes. Also used in the preparation of anti-oxidants quinolines.
Molecular Weight:	163.13
Molecular Formula:	C8H5NO3
Canonical SMILES:	C1=CC2=C(C=CO2)C=C1[N+](=O)[O-]
InChI:	InChI=1S/C8H5NO3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChI Key:	LPMMCJSIUVQZFD-UHFFFAOYSA-N
Boiling Point:	273.1 °C at 760 mmHg
Density:	1.38 g/cm³
LogP:	2.86420

Publication Number	Title	Priority Date
CN-111848930-A	Soluble polybenzfuran, preparation method thereof and application thereof in synthesizing 5-substituted benzofuran	20200730
CN-111848930-B	Soluble polybenzfuran, preparation method thereof and application thereof in synthesizing 5-substituted benzofuran	20200730
WO-2021053555-A1	Glue degraders and methods of use thereof	20190916
RU-2744758-C2	Dibenzofuran oxime derivants with anticonvulsant and neuroprotective activity	20181019
CN-108484548-A	A kind of preparation method of 5- nitro-benzofurans -2- formic ether compounds	20180523

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Related Functional Groups

Benzofuran/Benzothiophene

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6,7,8,9-Tetrahydrodibenzo[b,d]furan-4-carboxylic acid
[2649788-75-8]
tert-butyl N-(4-bromo-3-cyano-benzothiophen-2-yl)carbamate
[16587-47-6]
6-Methylbenzo[b]thiophene
[54574-00-4]
3-4-(diethylamino)-2-ethoxyphenyl-3-(2-methyl-1-octyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.026943022
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.026943022
Rotatable Bond Count:	0
Topological Polar Surface Area:	59
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2