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262692

Sigma-Aldrich

Phenanthridine

≥99%, purified by sublimation

Synonym(s):

Benzo[c]quinoline

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About This Item

Empirical Formula (Hill Notation):
C13H9N
CAS Number:
229-87-8
Molecular Weight:
179.22
Beilstein/REAXYS Number:
120204
EC Number:
205-934-4
MDL number:
MFCD00004989
UNSPSC Code:
12352103
PubChem Substance ID:
24855920

assay

≥99%

form

solid

purified by

sublimation

bp

349 °C/769 mmHg (lit.)

mp

104-107 °C (lit.)

SMILES string

c1ccc2c(c1)cnc3ccccc23

InChI

1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H

InChI key

RDOWQLZANAYVLL-UHFFFAOYSA-N

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pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Certificates of Analysis (COA)

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Harrie J M Gijsen et al.
Journal of medicinal chemistry, 53(19), 7011-7020 (2010-09-03)
The TRPA1 channel can be considered as a key biological sensor to irritant chemicals. In this paper, the discovery of 11H-dibenz[b,e]azepines (morphanthridines) and dibenz[b,f][1,4]oxazepines is described as extremely potent agonists of the TRPA1 receptor. This has led to the discovery
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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