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About This Item
Empirical Formula (Hill Notation):
C13H9N
CAS Number:
Molecular Weight:
179.22
Beilstein:
120204
EC Number:
MDL number:
UNSPSC Code:
12352103
PubChem Substance ID:
NACRES:
NA.23
Assay
98%
form
powder
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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Application
- Used in the study of ecotoxicity.
- Used in rotational spectroscopic investigations and radio astronomical searches.
- Used as a dye in biological and chemical sensors.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
Flash Point(F)
212.0 °F - closed cup
Flash Point(C)
100 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Kraak, Michiel HS, et al.
Environmental Toxicology and Chemistry / Setac, 16(10), 2158-2163 (1997)
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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
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