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CAS No.: | 17057-04-4 |
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Name: | 4-Maleimidobenzoic acid |
Article Data: | 48 |
Molecular Structure: | |
Formula: | C11H7NO4 |
Molecular Weight: | 217.181 |
Synonyms: | Benzoicacid, p-maleimido- (6CI,8CI);4-Maleimidobenzoic acid;N-(4-Carboxyphenyl)maleimide;N-(p-Carboxyphenyl)maleimide;NSC 14889;NSC521355;p-(N-Maleimido)benzoic acid;p-Carboxyphenylmaleimide;p-Maleimidobenzoic acid; |
EINECS: | 241-117-9 |
Density: | 1.521 g/cm3 |
Melting Point: | 225-228 °C |
Boiling Point: | 447.1 °C at 760 mmHg |
Flash Point: | 224.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 74.68000 |
LogP: | 0.87920 |
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This chemical is called Benzoic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, and its CAS registry number is 17057-04-4. With the molecular formula of C11H7NO4, its molecular weight is 217.18. Additionally, its product categories are Miscellaneous; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.
Other characteristics of the Benzoic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)- can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -2.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.68; (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: 63.68 Å2; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 53.25 cm3; (15)Molar Volume: 142.7 cm3; (16)Polarizability: 21.11×10-24cm3; (17)Surface Tension: 74.2 dyne/cm; (18)Density: 1.521 g/cm3; (19)Flash Point: 224.2 °C; (20)Enthalpy of Vaporization: 74.33 kJ/mol; (21)Boiling Point: 447.1 °C at 760 mmHg; (22)Vapour Pressure: 8.92E-09 mmHg at 25°C.
Uses of this chemical: The Benzoic acid, 4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)- could react with 2,4-dinitro-phenol, and obtain the N-Maleoyl-4-aminobenzoesaeure-2,4-dinitrophenylester. This reaction needs the reagent of DCC, and the solvent of tetrahydrofuran. The yield is 73 %.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1ccc(cc1)N2C(=O)\C=C/C2=O
2.InChI: InChI=1/C11H7NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-6H,(H,15,16)
3.InChIKey: LKUOJDGRNKVVFF-UHFFFAOYAW