Molecular Structure of 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde (CAS NO.30742-59-7):
IUPAC Name: 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde
Molecular Formula: C11H12N2O3
Molecular Weight: 220.22
Mol File: 30742-59-7.mol
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 4
Index of Refraction: 1.632
Molar Refractivity: 59.75 cm3
Molar Volume: 167.4 cm3
Surface Tension: 59.4 dyne/cm
Density: 1.314 g/cm3
Flash Point: 197 °C
Enthalpy of Vaporization: 65.32 kJ/mol
Boiling Point: 402.1 °C at 760 mmHg
Vapour Pressure: 1.13E-06 mmHg at 25 °C
Canonical SMILES: C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O
InChI: InChI=1S/C11H12N2O3/c14-8-9-7-10(13(15)16)3-4-11(9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
InChIKey: FSYPVHLPBAAKIU-UHFFFAOYSA-N
Safety Information of 5-Nitro-2-pyrrolidin-1-ylbenzaldehyde (CAS NO.30742-59-7):
Hazard Codes: Xi
5-Nitro-2-pyrrolidin-1-ylbenzaldehyde (CAS NO.30742-59-7), its Synonyms are Benzaldehyde, 5-nitro-2-(1-pyrrolidinyl)- ; 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde ; 5-Nitro-2-(1-pyrrolidinyl)benzenecarbaldehyde .
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