246220
4-Chloroindole
98%
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About This Item
Empirical Formula (Hill Notation):
C8H6ClN
CAS Number:
Molecular Weight:
151.59
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
246-747-8
Beilstein/REAXYS Number:
114880
MDL number:
Assay:
98%
assay
98%
refractive index
n20/D 1.628 (lit.)
bp
129-130 °C/4 mmHg (lit.)
solubility
ethanol: 50 mg/mL, clear, colorless
density
1.259 g/mL at 25 °C (lit.)
functional group
chloro
SMILES string
Clc1cccc2[nH]ccc12
InChI
1S/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChI key
SVLZRCRXNHITBY-UHFFFAOYSA-N
General description
The nitrosation rate of 4-chloroindole and the stability of its nitrosated products were studied.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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H G Tiedink et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 27(11), 723-730 (1989-11-01)
The nitrosation rates of indole-3-acetonitrile, indole-3-carbinol, indole and 4-chloroindole and the stability of their nitrosated products were investigated. Each of the nitrosated indole compounds was directly mutagenic to Salmonella typhimurium TA100 in the following order of potency: 4-chloroindole much greater
Zhong-Liu Wu et al.
The Journal of biological chemistry, 280(49), 41090-41100 (2005-10-11)
The natural product indole is a substrate for cytochrome P450 2A6. Mutagenesis of P450 2A6 was done to expand its capability in the oxidization of bulky substituted indole compounds, which are not substrates for the wild-type enzyme or the double
H G Tiedink et al.
Cell biology and toxicology, 7(4), 371-386 (1991-10-01)
4-chloro-methoxyindole is a naturally occurring compound in Vicia faba which can easily react with nitrite to form a N-nitroso compound. In this in vitro study, the potential genotoxic effects of nitrosated 4-chloro-6-methoxyindole and its structural analogue 4-chloroindole were evaluated for
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 246220-1G | 04061838347916 |