1-(Trifluoromethyl)naphthalene - CAS 26458-04-8

Catalog:	BB019291
Product Name:	1-(Trifluoromethyl)naphthalene
CAS:	26458-04-8
Synonyms:	1-(trifluoromethyl)naphthalene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(trifluoromethyl)naphthalene
Description:	1-(Trifluoromethyl)naphthalene (CAS# 26458-04-8) is a useful research chemical.
Molecular Weight:	196.17
Molecular Formula:	C11H7F3
Canonical SMILES:	C1=CC=C2C(=C1)C=CC=C2C(F)(F)F
InChI:	InChI=1S/C11H7F3/c12-11(13,14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChI Key:	GOBHSUAEQGWYBT-UHFFFAOYSA-N
Purity:	95 %
MDL:	MFCD04973005
LogP:	3.85860

Publication Number	Title	Priority Date
CN-111825660-A	Compound, thermal activation delayed fluorescence material, organic electroluminescent device and application	20190419
WO-2020059626-A1	Ink composition for manufacturing organic semiconductor device	20180919
CN-112771684-A	Ink composition for manufacturing organic semiconductor device	20180919
EP-3855520-A1	Ink composition for manufacturing organic semiconductor device	20180919
JP-WO2020059626-A1	Ink composition for manufacturing organic semiconductor devices	20180919

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Related Functional Groups

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GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04998471
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.04998471
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4