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CAS No.: | 16309-45-8 |
---|---|
Name: | 4-(4-NITROPHENOXY)BENZOIC ACID |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C13H9NO5 |
Molecular Weight: | 259.218 |
Synonyms: | Benzoicacid, p-(p-nitrophenoxy)- (6CI,8CI);4-(p-Nitrophenoxy)benzoic acid;NSC157675;p-(p-Nitrophenoxy)benzoic acid; |
Density: | 1.405 g/cm3 |
Melting Point: | 238-242 °C |
Boiling Point: | 429.3 °C at 760 mmHg |
Flash Point: | 213.4 °C |
Hazard Symbols: | Xn, N |
Risk Codes: | 22-43-50 |
Safety: | 36/37-60-61 |
PSA: | 92.35000 |
LogP: | 3.60850 |
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The Benzoic acid,4-(4-nitrophenoxy)- is an organic compound with the formula C13H9NO5. The IUPAC name of this chemical is 4-(4-Nitrophenoxy)benzoic acid. With the CAS registry number 16309-45-8, it is also named as 4-(4-Nitro-phenoxy)-benzoic acid. The product's categories are C13 to C42+; Carbonyl Compounds; Carboxylic Acids. Besides, its molecular weight is 259.2143.
Physical properties about Benzoic acid,4-(4-nitrophenoxy)- are: (1)ACD/LogP: 2.93; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 0.04; (4)ACD/BCF (pH 5.5): 4.48; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 42.18; (7)ACD/KOC (pH 7.4): 1.21; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 81.35 Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 66.17 cm3; (14)Molar Volume: 184.3 cm3; (15)Polarizability: 26.23×10-24 cm3; (16)Surface Tension: 61.3 dyne/cm; (17)Density: 1.405 g/cm3; (18)Flash Point: 213.4 °C; (19)Enthalpy of Vaporization: 72.16 kJ/mol; (20)Boiling Point: 429.3 °C at 760 mmHg; (21)Vapour Pressure: 3.91E-08 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and very toxic to aquatic organisms. It may cause sensitization by skin contact. When you are using it, wear suitable protective clothing and gloves. This material and/or its container must be disposed of as hazardous waste. Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)
(2)InChIKey: XTVBFFGZCMYUJX-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C13H9NO5/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)
(4)Std. InChIKey: XTVBFFGZCMYUJX-UHFFFAOYSA-N