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Thiophene,3-methyl-2-nitro-

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Name

Thiophene,3-methyl-2-nitro-

EINECS
CAS No. 32059-75-9 Density 1.337 g/cm3
PSA 74.06000 LogP 2.48790
Solubility Melting Point
Formula C5H5NO2S Boiling Point 219.5 °C at 760 mmHg
Molecular Weight 143.1637 Flash Point 86.6 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 32059-75-9 (Thiophene,3-methyl-2-nitro-) Hazard Symbols
Synonyms

2-Nitro-3-methylthiophene;3-Methyl-2-nitrothiophene;

 

Thiophene,3-methyl-2-nitro- Specification

The Thiophene, 3-methyl-2-nitro-, with the CAS registry number of 32059-75-9, is also known as 2-Nitro-3-methylthiophene. It belongs to the product categories of Nitro; Thiophens. This chemical's molecular formula is C5H5NO2S and molecular weight is 143.1637. What's more, its systematic name is called 3-Methyl-2-nitrothiophene.

Physical properties about Thiophene, 3-methyl-2-nitro- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.49; (6)ACD/BCF (pH 7.4): 23.49; (7)ACD/KOC (pH 5.5): 333.34; (8)ACD/KOC (pH 7.4): 333.34; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.06 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 36 cm3; (15)Molar Volume: 107 cm3; (16)Surface Tension: 49.2 dyne/cm; (17)Density: 1.337 g/cm3; (18)Flash Point: 86.6 °C; (19)Enthalpy of Vaporization: 43.74 kJ/mol; (20)Boiling Point: 219.5 °C at 760 mmHg; (21)Vapour Pressure: 0.176 mmHg at 25 °C.

Uses of Thiophene, 3-methyl-2-nitro-: it is used to produce other chemicals. For example, it is used to produce 3-Bromomethyl-2-nitro-thiophene by heating. This reaction needs reagents Benzoyl peroxide and N-Bromosuccinimide. Meanwhile, it needs solvent 1, 2-Dibromo-ethane. The reaction time is 5 hours. The yield is about 85 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1sccc1C
(2) InChI: InChI=1/C5H5NO2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3
(3) InChIKey: RUYLULWJGCGKEV-UHFFFAOYAU

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