3-Nitrophenyl ethyl sulfide supplier

Name
3-NITRO PHENYL ETHYL SULFIDE
EINECS
CAS No. 34126-43-7
Density 1.23 g/cm³
Solubility
Melting Point
Formula C₈H₉NO₂S
Boiling Point 277.8 °C at 760 mmHg
Molecular Weight 183.23
Flash Point 121.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sulfide,ethyl m-nitrophenyl (6CI,7CI,8CI);Ethyl 3-nitrophenyl sulfide;1-(Ethylsulfanyl)-3-nitrobenzene;
PSA 71.12000
LogP 3.23000

3-Nitrophenyl ethyl sulfide Specification

The 3-Nitrophenyl ethyl sulfide, with the cas registry number 34126-43-7, has the systematic name of 1-ethylsulfanyl-3-nitro-benzene. The molecular formula of the chemical is C₈H₉NO₂S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 71.12 Å²; (9)Index of Refraction: 1.586; (10)Molar Refractivity: 50.05 cm³; (11)Molar Volume: 148.9 cm³; (12)Polarizability: 19.84×10^-24cm³; (13)Surface Tension: 48.5 dyne/cm; (14)Density: 1.23 g/cm³; (15)Flash Point: 121.8 °C; (16)Enthalpy of Vaporization: 49.56 kJ/mol; (17)Boiling Point: 277.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00747 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCSc1cccc(c1)[N+](=O)[O-]
(2)InChI: InChI=1/C8H9NO2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3
(3)InChIKey: DIAULDRPQLGWSI-UHFFFAOYAJ

Product Name

3-NITRO PHENYL ETHYL SULFIDE

3-Nitrophenyl ethyl sulfide Specification

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