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77490

Sigma-Aldrich

Phenanthridine

suitable for fluorescence, BioReagent, ≥98.0% (GC)

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:
12171500
PubChem Substance ID:
57652701
NACRES:
NA.32

product line

BioReagent

assay

≥98.0% (GC)

bp

349 °C/769 mmHg (lit.)

mp

104-107 °C (lit.)
104-107 °C

solubility

phosphate buffer: soluble

fluorescence

λex 305 nm; λem 370 nm in DMSO

suitability

suitable for fluorescence

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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Analysis Note

In addition to the emission maximum at 370 nm, there are lower maxima at 351, 390, 410, and 442 nm.

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

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Certificates of Analysis (COA)

Lot/Batch Number
1366284
1352121
397554/1
389986/1
382204/1

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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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