CAS No.13287-76-8,2-Hydroxyethyl 4-nitrophenyl sulfide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13287-76-8
Name:	2-Hydroxyethyl 4-nitrophenyl sulfide
Article Data:	17

Formula:	C₈H₉NO₃S
Molecular Weight:	199.23
Synonyms:	Ethanol,2-[(p-nitrophenyl)thio]- (7CI,8CI);2-Hydroxyethyl 4-nitrophenyl sulfide;2-Hydroxyethyl p-nitrophenyl sulfide;2-[(p-Nitrophenyl)thio]ethanol;4-Nitrophenyl 2-hydroxyethyl sulfide;
Density:	1.35 g/cm³
Melting Point:	60 °C
Boiling Point:	370.2 °C at 760 mmHg
Flash Point:	177.7 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	91.35000
LogP:	2.20240

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Specification

The Ethanol,2-[(4-nitrophenyl)thio]-, with CAS registry number 13287-76-8, has the systematic name of 2-[(4-nitrophenyl)sulfanyl]ethanol. Besides this, it is also called 2-Hydroxyethyl 4-nitrophenyl sulfide. And the chemical formula of this chemical is C₈H₉NO₃S.

Physical properties of Ethanol,2-[(4-nitrophenyl)thio]-: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 16.04; (6)ACD/BCF (pH 7.4): 16.04; (7)ACD/KOC (pH 5.5): 253.68; (8)ACD/KOC (pH 7.4): 253.68; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 80.35 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 51.59 cm³; (15)Molar Volume: 146.5 cm³; (16)Polarizability: 20.45×10^-24cm³; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 177.7 °C; (20)Enthalpy of Vaporization: 65.1 kJ/mol; (21)Boiling Point: 370.2 °C at 760 mmHg; (22)Vapour Pressure: 3.92E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-nitro-benzenethiol and 2-chloro-ethanol. This reaction will need reagent alcoholic KOH-solution.

Uses of Ethanol,2-[(4-nitrophenyl)thio]-: it can be used to produce 2-(4-nitro-benzenesulfonyl)-ethanol. This reaction will need reagents H₂O₂.

When you are using this chemical, please be cautious about it as the following:
The Ethanol,2-[(4-nitrophenyl)thio]- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(SCCO)cc1
(2)InChI: InChI=1/C8H9NO3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2
(3)InChIKey: RVYZERYSWJUUJY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H9NO3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2
(5)Std. InChIKey: RVYZERYSWJUUJY-UHFFFAOYSA-N