1-Methylsulfanyl-2-nitro-benzene supplier

Name
2-NITROTHIOANISOLE
EINECS
CAS No. 3058-47-7
Article Data24
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point 64.5°C
Formula C₇H₇NO₂S
Boiling Point 264.7 °C at 760 mmHg
Molecular Weight 169.204
Flash Point 113.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Nitrothioanisole;Methyl 2-nitrophenyl sulfide;
PSA 71.12000
LogP 2.83990

1-Methylsulfanyl-2-nitro-benzene Specification

The 1-Methylsulfanyl-2-nitro-benzene, with the CAS registry number 3058-47-7, is also known as Benzene, 1-(methylthio)-2-nitro-. It belongs to the product category of Anisole. This chemical's molecular formula is C₇H₇NO₂S and molecular weight is 169.2. What's more, its systematic name is called 1-(Methylsulfanyl)-2-nitrobenzene.

Physical properties about 1-Methylsulfanyl-2-nitro-benzene are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 71.12 Å²; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 45.42 cm³; (9)Molar Volume: 132.4 cm³; (10)Surface Tension: 50.4 dyne/cm; (11)Density: 1.27 g/cm³; (12)Flash Point: 113.9 °C; (13)Enthalpy of Vaporization: 48.24 kJ/mol; (14)Boiling Point: 264.7 °C at 760 mmHg; (15)Vapour Pressure: 0.0156 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccccc1SC
(2) InChI: InChI=1/C7H7NO2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
(3) InChIKey: LYERWKWSYZQUDA-UHFFFAOYAR

Product Name

2-NITROTHIOANISOLE

1-Methylsulfanyl-2-nitro-benzene Specification

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