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Quality Level
assay
97%
form
solid
mp
98-100 °C (lit.)
solubility
methanol: soluble 50 mg/mL, clear, colorless
functional group
carboxylic acid
phenyl
SMILES string
OC(=O)C(C1CCCC1)c2ccccc2
InChI
1S/C13H16O2/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,14,15)
InChI key
BCJIDGDYYYBNNB-UHFFFAOYSA-N
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This Item | 343412 | 158410 | 122769 |
---|---|---|---|
100 | 200 | 100 | 100 |
methanol: soluble 50 mg/mL, clear, colorless | methanol: soluble 1 g/10 mL, clear, colorless | 95% ethanol: soluble 50 mg/mL, clear, colorless to faintly yellow | H2O: soluble 50 mg/mL, clear, colorless |
98-100 °C (lit.) | 134-136 °C (lit.) | 38-40 °C (lit.) | 28-29 °C (lit.) |
solid | - | solid | solid |
carboxylic acid | carboxylic acid | bromo, carboxylic acid | - |
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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