39746-01-5

Name (-)-Corey aldehyde benzoate
CAS 39746-01-5
Molecular Formula C15H14O5
MDL Number MFCD02094761
Molecular Weight 274.27
MOL File 39746-01-5.mol
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Chemical Properties

Melting point  128-138 °C(lit.)
alpha  -85 º (c=1, MeOH)
Boiling point  470.4±45.0 °C(Predicted)
density  1.32±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  DMF: >100 mg/ml; DMSO: >100 mg/ml; Ethanol: >5.2 mg/ml; PBS pH 7.2: >4.7 mg/ml
form  A crystalline solid
Optical Rotation [α]23/D 85°, c = 1 in methanol
InChI 1S/C15H14O5/c16-8-11-10-6-14(17)19-12(10)7-13(11)20-15(18)9-4-2-1-3-5-9/h1-5,8,10-13H,6-7H2/t10-,11-,12+,13-/m1/s1
InChIKey NDHMOBCVFGMXRK-FVCCEPFGSA-N
SMILES O=C[C@H]1[C@@H](C[C@@H]2OC(=O)C[C@H]12)OC(=O)c3ccccc3
CAS DataBase Reference 39746-01-5(CAS DataBase Reference)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P280-P261
WGK Germany  3
HS Code  2932209090
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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