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Benzoic acid,4-(4-nitrophenoxy)-

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Name

Benzoic acid,4-(4-nitrophenoxy)-

EINECS N/A
CAS No. 16309-45-8 Density 1.405 g/cm3
PSA 92.35000 LogP 3.60850
Solubility N/A Melting Point 238-242 °C
Formula C13H9NO5 Boiling Point 429.3 °C at 760 mmHg
Molecular Weight 259.218 Flash Point 213.4 °C
Transport Information N/A Appearance N/A
Safety 36/37-60-61 Risk Codes 22-43-50
Molecular Structure Molecular Structure of 16309-45-8 (4-(4-NITROPHENOXY)BENZOIC ACID) Hazard Symbols HarmfulXn, DangerousN
Synonyms

Benzoicacid, p-(p-nitrophenoxy)- (6CI,8CI);4-(p-Nitrophenoxy)benzoic acid;NSC157675;p-(p-Nitrophenoxy)benzoic acid;

Article Data 8

Benzoic acid,4-(4-nitrophenoxy)- Specification

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

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