CAS No.284679-97-6,3-Nitro-4-(1-pyrrolidino)benzaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	284679-97-6
Name:	3-Nitro-4-(1-pyrrolidino)benzaldehyde

Formula:	C₁₁H₁₂N₂O₃
Molecular Weight:	220.228
Synonyms:	3-Nitro-4-(1-pyrrolidino)benzaldehyde;3-Nitro-4-(1-pyrrolidinyl)benzaldehyde;
Density:	1.314 g/cm³
Melting Point:	103 °C
Boiling Point:	396.8 °C at 760 mmHg
Flash Point:	193.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	66.13000
LogP:	2.59570

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Specification

The CAS register number of 3-Nitro-4-(1-pyrrolidino)benzaldehyde is 284679-97-6. It also can be called as Benzaldehyde,3-nitro-4-(1-pyrrolidinyl)- and the systematic name about this chemical is 3-nitro-4-(pyrrolidin-1-yl)benzaldehyde. The molecular formula about this chemical is C₁₁H₁₂N₂O₃and the molecular weight is 220.22.

Physical properties about 3-Nitro-4-(1-pyrrolidino)benzaldehyde are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 3.21; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 161.56; (5)ACD/BCF (pH 7.4): 161.56; (6)ACD/KOC (pH 5.5): 1325.36; (7)ACD/KOC (pH 7.4): 1325.36; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.13Å²; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 59.75 cm³; (13)Molar Volume: 167.4 cm³; (14)Polarizability: 23.68x10^-24cm³; (15)Surface Tension: 59.4 dyne/cm; (16)Enthalpy of Vaporization: 64.72 kJ/mol; (17)Boiling Point: 396.8 °C at 760 mmHg; (18)Vapour Pressure: 1.66E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(C=O)ccc1N2CCCC2
(2)InChI: InChI=1/C11H12N2O3/c14-8-9-3-4-10(11(7-9)13(15)16)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
(3)InChIKey: AONHBESCCBXPAD-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H12N2O3/c14-8-9-3-4-10(11(7-9)13(15)16)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2
(5)Std. InChIKey: AONHBESCCBXPAD-UHFFFAOYSA-N