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| CAS No.: | 42297-94-9 |
|---|---|
| Name: | 2-Methyl-5-nitrothiophene |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H5NO2S |
| Molecular Weight: | 143.166 |
| Synonyms: | 2-Methyl-5-nitrothiophene; 2-Nitro-5-methylthiophene |
| Density: | 1.337 g/cm3 |
| Boiling Point: | 233.4 °C at 760 mmHg |
| Flash Point: | 95 °C |
| PSA: | 74.06000 |
| LogP: | 2.48790 |
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Specification
The CAS registry number of Thiophene,2-methyl-5-nitro- is 42297-94-9. It belongs to the product category of Thiophens. This chemical's molecular formula is C5H5NO2S and molecular weight is 143.1637. What's more, its systematic name is called 2-Methyl-5-nitrothiophene.
Physical properties about this chemical 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: 74.06Å2; (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: 95 °C; (19)Enthalpy of Vaporization: 45.11 kJ/mol; (20)Boiling Point: 233.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0852 mmHg at 25 °C.
Preparation of Thiophene,2-methyl-5-nitro-: this chemical can be prepared by 2-Methyl-thiophene.
This reaction needs reagents HNO3, Ac2O at temperature of -10 - -5 °C. The yield is 32%.
Uses of Thiophene,2-methyl-5-nitro-: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-3,5-dinitro-thiophene.
The reaction occurs with reagents HNO3, H2SO4 at temperature of 5-10 °C for 30 mins. The yield is 76%.
You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1ccc(C)s1
(2) InChI: InChI=1/C5H5NO2S/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
(3) InChIKey: BHCPVWDLDWXIFJ-UHFFFAOYAP