2-Naphthyl isocyanide - CAS 10124-78-4

Catalog:	BB000473
Product Name:	2-Naphthyl isocyanide
CAS:	10124-78-4
Synonyms:	2-isocyanonaphthalene

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Computed Properties

IUPAC Name:	2-isocyanonaphthalene
Description:	2-Naphthyl isocyanide (CAS# 10124-78-4) is a useful research chemical compound.
Molecular Weight:	153.18
Molecular Formula:	C11H7N
Canonical SMILES:	[C-]#[N+]C1=CC2=CC=CC=C2C=C1
InChI:	InChI=1S/C11H7N/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H
InChI Key:	ZZKQDMRCHFQQCQ-UHFFFAOYSA-N
Melting Point:	60-64 °C (lit.)
Purity:	95 %
MDL:	MFCD06200692
LogP:	2.62130

Publication Number	Title	Priority Date
CN-112778324-A	Polysubstituted difuran cycloheptatrienamine derivative and preparation method thereof	20210127
CN-112851685-A	Polysubstituted furo-cycloheptatriene pyrrole derivative and preparation method thereof	20210127
JP-2021042177-A	Method for producing organosilicon compound using novel isocyanide compound, formamide compound and isocyanide compound	20190913
JP-2019076903-A	Method of preparing hydrosilylated iron catalyst	20190215
JP-6806299-B2	Method for preparing a hydrosilylated iron catalyst	20190215

PMID	Publication Date	Title	Journal
20630867	20100917	Evolution of new enzymatic function by structural modulation of cysteine reactivity in Pseudomonas fluorescens isocyanide hydratase	The Journal of biological chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.057849228
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	153.057849228
Rotatable Bond Count:	0
Topological Polar Surface Area:	4.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2