2-Naphthylacetonitrile - CAS 7498-57-9

Catalog:	BB035205
Product Name:	2-Naphthylacetonitrile
CAS:	7498-57-9
Synonyms:	2-naphthalen-2-ylacetonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-naphthalen-2-ylacetonitrile
Description:	2-Naphthylacetonitrile (CAS# 7498-57-9) is a useful research chemical.
Molecular Weight:	167.21
Molecular Formula:	C12H9N
Canonical SMILES:	C1=CC=C2C=C(C=CC2=C1)CC#N
InChI:	InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2
InChI Key:	LPCWDVLDJVZIHA-UHFFFAOYSA-N
Boiling Point:	303 ℃
Density:	1.092 g/cm³
Appearance:	White to light yellow powder
MDL:	MFCD00004122
LogP:	2.90588

Publication Number	Title	Priority Date
CN-113214104-A	Method for synthesizing aromatic acetamide	20210416
CN-113330609-A	Conductive agent, method for producing same, electrochemical device, and electronic device	20200324
WO-2021189244-A1	Electrically-conductive agent, preparation method therefor, electrochemical device, and electronic device	20200324
CN-111188235-A	Asphalt concrete pavement construction method	20200113
CN-113365977-A	High-purity 2-naphthylacetonitrile and production method thereof	20191029

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Related Functional Groups

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GHS Hazard Statement:	H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.073499291
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.073499291
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8