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177156

Sigma-Aldrich

3-Quinolinecarbonitrile

98%

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About This Item

Empirical Formula (Hill Notation):
C10H6N2
CAS Number:
34846-64-5
Molecular Weight:
154.17
EC Number:
252-248-6
MDL number:
MFCD00006766
UNSPSC Code:
12352100
PubChem Substance ID:
24850618
NACRES:
NA.22

Assay

98%

form

powder

mp

108-110 °C (lit.)

SMILES string

N#Cc1cnc2ccccc2c1

InChI

1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H

InChI key

QZZYYBQGTSGDPP-UHFFFAOYSA-N

Related Categories

Application

3-Quinolinecarbonitrile was used as a template for EGFR inhibitors.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

177156-BULK:
177156-1G:4548173109800
177156-5G:4548173109824
177156-25G:4548173109817
177156-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK2872
STBH1364
STBG0753V
STBF7340V
STBD8157V

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Diane H Boschelli
Current topics in medicinal chemistry, 8(10), 922-934 (2008-08-05)
In 2000, Wyeth reported that the 3-quinolinecarbonitrile ring system was a template for EGFR inhibitors. It soon became apparent that the group at C-4 of this core was responsible for kinase selectivity. A 4-(2,4-dichloro-5-methoxyanilino) substituent provided potent inhibitors of Src
Tamara Rodríguez-Cabo et al.
Analytical and bioanalytical chemistry, 407(20), 6159-6170 (2015-06-05)
Time-of-flight accurate mass spectrometry (TOF-MS), following a previous chromatographic (gas or liquid chromatography) separation step, is applied to the identification and structural elucidation of quinoline-like alkaloids in honey. Both electron ionization (EI) MS and positive electrospray (ESI+) MS spectra afforded

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