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About This Item
Empirical Formula (Hill Notation):
C6H5NO
CAS Number:
Molecular Weight:
107.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
207-900-4
Beilstein/REAXYS Number:
105343
MDL number:
Assay:
98%
Quality Level
assay
98%
refractive index
n20/D 1.549 (lit.)
bp
78-81 °C/10 mmHg (lit.)
density
1.141 g/mL at 20 °C (lit.)
storage temp.
2-8°C
SMILES string
[H]C(=O)c1cccnc1
InChI
1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
InChI key
QJZUKDFHGGYHMC-UHFFFAOYSA-N
signalword
Warning
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 3 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
95.0 °F - closed cup
flash_point_c
35 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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[Selenazoles. IX. [9]. 3-methyl-4-R-selenazolidene-2-hydrazones of acetaldehyde, benzaldehyde, isonicotinaldehyde, nicotinaldehyde and picolinaldehyde].
S Biliński et al.
Annales Universitatis Mariae Curie-Sklodowska. Sectio D: Medicina, 39, 25-31 (1984-01-01)
P Narender et al.
Bioorganic & medicinal chemistry letters, 15(24), 5378-5381 (2005-10-11)
New Baylis-Hillman adducts are synthesized based on substituted 2-chloronicotinaldehydes and screened for their in vitro anti-malarial activity against chloroquine sensitive and chloroquine resistant Plasmodium falciparum. Out of the six new compounds synthesized and screened, 2b, 2c and 2d compounds showed
K S De Jongh et al.
The Biochemical journal, 242(1), 143-150 (1987-02-15)
The kinetic mechanism of the major sheep liver aldehyde reductase (ALR1) was studied with three aldehyde substrates: p-nitrobenzaldehyde, pyridine-3-aldehyde and D-glucuronate. In each case the enzyme mechanism was sequential and product-inhibition studies were consistent with an ordered Bi Bi mechanism

