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About This Item
Empirical Formula (Hill Notation):
C8H7N
CAS Number:
Molecular Weight:
117.15
EC Number:
204-420-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
107693
MDL number:
grade
puriss.
assay
≥98.5% (GC)
bp
253-254 °C (lit.)
mp
50-53 °C, 51-54 °C (lit.)
solubility
methanol: 0.1 g/mL, clear
SMILES string
c1ccc2[nH]ccc2c1
InChI
1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChI key
SIKJAQJRHWYJAI-UHFFFAOYSA-N
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Irrit. 2
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 1
flash_point_f
249.8 °F - closed cup
flash_point_c
121 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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Mohamed A A Mahmoud et al.
Frontiers in chemistry, 6, 241-241 (2018-07-11)
Although the microbiota is considered to be the primary source of off-flavors in farmed fish, there is a lack of information about the possible contribution of feeds to fish malodor. For this reason, the current study was designed to perform
Total synthesis of the tremorgenic indole diterpene paspalinine.
Masaru Enomoto et al.
Angewandte Chemie (International ed. in English), 51(51), 12833-12836 (2012-11-09)
Facile access to 3-acylindoles through palladium-catalyzed addition of indoles to nitriles: the one-pot synthesis of indenoindolones.
Yuanhong Ma et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 19(4), 1189-1193 (2012-12-15)

