(4-Nitrophenyl)methyl 3-oxobutanoate supplier

Name
(4-Nitrophenyl)methyl 3-oxobutanoate
EINECS 612-114-3
CAS No. 61312-84-3
Article Data6
CAS DataBase
Density 1.288 g/cm³
Solubility
Melting Point 45 °C
Formula C₁₁H₁₁NO₅
Boiling Point 376.514 °C at 760 mmHg
Molecular Weight 237.212
Flash Point 170.471 °C
Transport Information
Appearance clear liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoaceticacid, p-nitrobenzyl ester (7CI);4-Nitrobenzyl acetoacetate;p-Nitrobenzyl 3-oxobutanoate;p-Nitrobenzyl acetoacetate;
PSA 89.19000
LogP 2.14030

(4-Nitrophenyl)methyl 3-oxobutanoate Specification

This chemical is called Butanoic acid, 3-oxo-,(4-nitrophenyl)methyl ester, and its systematic name is 4-nitrobenzyl 3-oxobutanoate. With the molecular formula of C₁₁H₁₁NO₅, its molecular weight is 237.21. The CAS registry number of this chemical is 61312-84-3.

Other characteristics of the Butanoic acid, 3-oxo-,(4-nitrophenyl)methyl ester can be summarised as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.88; (6)ACD/BCF (pH 7.4): 12.85; (7)ACD/KOC (pH 5.5): 216.8; (8)ACD/KOC (pH 7.4): 216.36; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 89.19 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 58.05 cm³; (15)Molar Volume: 184.2 cm³; (16)Polarizability: 23.01×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 170.5 °C; (20)Enthalpy of Vaporization: 62.42 kJ/mol; (21)Boiling Point: 376.5 °C at 760 mmHg; (22)Vapour Pressure: 7.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(cc1)COC(=O)CC(=
2.InChI: InChI=1/C11H11NO5/c1-8(13)6-11(14)17-7-9-2-4-10(5-3-9)12(15)16/h2-5H,6-7H2,1H3
3.InChIKey: KQPGVCMZXFBYMM-UHFFFAOYAJ

Product Name

(4-Nitrophenyl)methyl 3-oxobutanoate

(4-Nitrophenyl)methyl 3-oxobutanoate Specification

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