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60875-16-3

Basic Information
CAS No.: 60875-16-3
Name: Benzoic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
Article Data: 18
Cas Database
Molecular Structure:
Molecular Structure of 60875-16-3 (Benzoic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-)
Formula: C11H10N2O3
Molecular Weight: 218.212
Synonyms: Benzoicacid, p-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI);1-(4-Carboxyphenyl)-3-methyl-2-pyrazolin-5-one;1-(4-Carboxyphenyl)-3-methyl-2-pyrazolinone;1-(4-Carboxyphenyl)-3-methyl-5-pyrazolone;1-(p-Carboxyphenyl)-3-methyl-5-pyrazolone;4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid;4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid;4-(3-Methyl-5-oxopyrazol-1-yl)benzoicacid;
EINECS: 262-509-6
Density: 1.37 g/cm3
Melting Point: 285 °C (dec.)(lit.)
Boiling Point: 477.6 °C at 760 mmHg
Flash Point: 242.7 °C
Solubility: N/A
Appearance: CREAM TO LIGHT ORANGE-BROWN FINE POWDER
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25
Transport Information: N/A
PSA: 69.97000
LogP: 0.99800
Downstream Products
107430-43-3
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  • Benzoic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

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    Benzoic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-

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    60875-16-3

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  • 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

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    60875-16-3

    4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

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  • 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid cas  60875-16-3

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    60875-16-3

    4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid cas 60875-16-3

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    4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid cas 60875-16-3Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid with the CAS number 60875-16-3 is also called Benzoic acid,4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-. The IUPAC name is 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoic acid. Its molecular formula is C11H10N2O3. The EINECS registry number is 262-509-6. This chemical belongs to the following product categories: (1)Building Blocks; (2)Heterocyclic Building Blocks; (3)Pyrazoles.

The properties of the chemical are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.9; (4)ACD/LogD (pH 7.4): -2.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.66; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.97 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 57.52 cm3; (15)Molar Volume: 159.1 cm3; (16)Polarizability: 22.8×10-24cm3; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 78.12 kJ/mol; (19)Vapour Pressure: 6.24×10-10 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. You should wear avoid this chemical contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(N1/N=C(\CC1=O)C)cc2
(2)InChI: InChI=1/C11H10N2O3/c1-7-6-10(14)13(12-7)9-4-2-8(3-5-9)11(15)16/h2-5H,6H2,1H3,(H,15,16)
(3)InChIKey: CUGBBQWDGCXWNB-UHFFFAOYAH