CAS No.30818-17-8,1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30818-17-8
Name:	1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one

Formula:	C₁₃H₁₄N₄O₃
Molecular Weight:	274.279
Synonyms:	2-Pyrazolin-5-one,1-(p-nitrophenyl)-3-(1-pyrrolidinyl)- (8CI);1-(p-Nitrophenyl)-3-pyrrolidino-5-pyrazolone;
EINECS:	250-347-9
Density:	1.48 g/cm³
Melting Point:	205-208°C(lit.)
Boiling Point:	444.419 °C at 760 mmHg
Flash Point:	222.577 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	81.73000
LogP:	1.70250

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Chemistry

Molecule structure of 1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one (CAS NO.30818-17-8):

IUPAC Name: 2-(4-Nitrophenyl)-5-pyrrolidin-1-yl-4H-pyrazol-3-one
Molecular Weight: 274.27526 [g/mol]
Molecular Formula: C₁₃H₁₄N₄O₃
Index of Refraction: 1.708
Molar Refractivity: 72.28 cm³
Molar Volume: 185.3 cm³
Polarizability: 28.65×10^-24cm³
Surface Tension: 67.4 dyne/cm
Density: 1.47 g/cm³
Melting point: 205-208 °C
Flash Point: 222.6 °C
Enthalpy of Vaporization: 70.22 kJ/mol
Boiling Point: 444.4 °C at 760 mmHg
Vapour Pressure: 4.29E-08 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 274.10659
MonoIsotopic Mass: 274.10659
Topological Polar Surface Area: 79
Heavy Atom Count: 20
Complexity: 431
Canonical SMILES: C1CCN(C1)C2=NN(C(=O)C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C13H14N4O3/c18-13-9-12(15-7-1-2-8-15)14-16(13)10-3-5-11(6-4-10)17(19)20/h3-6H,1-2,7-9H2
InChIKey: GMXRVALYFNKUTQ-UHFFFAOYSA-N
EINECS: 250-347-9
Product Categories of 1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one (CAS NO.30818-17-8): Building Blocks; Heterocyclic Building Blocks; Pyrrolidines

Uses

1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one (CAS NO.30818-17-8) is usede as intermediate coupler.

Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one (CAS NO.30818-17-8) is also named as 2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one ; 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)- ; 2,4-Dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)-3H-pyrazol-3-one ; 3H-Pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-(1-pyrrolidinyl)- ; 2-(4-Nitrophenyl)-5-(pyrrolidin-1-yl)-2,4-dihydro-3H-pyrazol-3-one . 1-(4-Nitrophenyl)-3-pyrrolidino-2-pyrazolin-5-one (CAS NO.30818-17-8) is orange powder.