4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid supplier

Name
4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid
EINECS 602-959-6
CAS No. 123855-55-0
Density 1.484 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₁NO₆S
Boiling Point 567.2 °C at 760 mmHg
Molecular Weight 309.29
Flash Point 296.8 °C
Transport Information
Appearance white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, [(2-furanylmethyl)sulfinyl]-, 4-nitrophenyl ester (9CI);p-Nitrophenyl2-(furfurylsulfinyl)acetate;
PSA 121.54000
LogP 3.43100

4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid Specification

The CAS register number of 4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid is 123855-55-0. It also can be called as p-Nitrophenyl 2-(furfurylsulfinyl)acetate and the systematic name about this chemical is 4-nitrophenyl [(furan-2-ylmethyl)sulfinyl]acetate. The molecular formula about this chemical is C₁₃H₁₁NO₆S and the molecular weight is 309.29.

Physical properties about 4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid are: (1)ACD/LogP: 1.20; (2)ACD/LogD (pH 5.5): 1.2; (3)ACD/LogD (pH 7.4): 1.2; (4)ACD/BCF (pH 5.5): 4.79; (5)ACD/BCF (pH 7.4): 4.79; (6)ACD/KOC (pH 5.5): 106.79; (7)ACD/KOC (pH 7.4): 106.79; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 121.54 Å²; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 74.42 cm³; (13)Molar Volume: 208.4 cm³; (14)Polarizability: 29.5x10^-24cm³; (15)Surface Tension: 69.2 dyne/cm; (16)Enthalpy of Vaporization: 85.15 kJ/mol; (17)Boiling Point: 567.2 °C at 760 mmHg; (18)Vapour Pressure: 6.98E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(CC(=O)Oc1ccc(cc1)N(=O)=O)Cc2ccco2
(2)InChI: InChI=1/C13H11NO6S/c15-13(9-21(18)8-12-2-1-7-19-12)20-11-5-3-10(4-6-11)14(16)17/h1-7H,8-9H2
(3)InChIKey: AIVSDRDWRLUYDF-UHFFFAOYAN

Product Name

4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid

4-Nitrophenyl 2-(furfurylsulfinyl)acetic acid Specification

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