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About This Item
SMILES string
O=Cc1ccccc1
InChI
1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChI key
HUMNYLRZRPPJDN-UHFFFAOYSA-N
grade
synthesis grade
vapor pressure
1.3 hPa ( 20 °C)
assay
≥99.0% (GC)
form
liquid
autoignition temp.
190 °C
potency
1300 mg/kg LD50, oral (Rat), >1250 mg/kg LD50, skin (Rabbit)
expl. lim.
1.4-8.5 % (v/v)
dilution
(for synthesis)
pH
5.9 (1 g/L in H2O)
bp
179 °C/1013 hPa
mp
-26 °C
transition temp
flash point 64 °C
solubility
3.3 g/L
density
1.05 g/cm3 at 20 °C
storage temp.
2-30°C
Quality Level
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Application
- β-amino ketone derivatives by Cu nanoparticles catalyzed one-pot, three-component Mannich reaction with various aromatic ketones and amines.
- Enantioselective 1-phenyl-1-propanol by asymmetric addition of diethylzinc in the presence of fenchone-based derivatives as catalysts.
- Benzoylborane by reacting with a boryl Grignard reagent (borylmagnesium).
- Diethyl benzylidenemalonate by piperidine catalyzed reaction with diethyl malonate.
Analysis Note
Density (d 20 °C/ 4 °C): 1.044 - 1.046
Identity (IR): passes test
signalword
Danger
Hazard Classifications
Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Repr. 1B - 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
WGK 1
flash_point_f
145.4 °F - closed cup
flash_point_c
63 °C - closed cup
Certificates of Analysis (COA)
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| 8.01756.0100 | 04022536370026 |
| 8.01756.2500 | 04022536370057 |
| 8.01756.0500 | 04022536370033 |
| 8.01756.1000 | 04022536370040 |
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