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CAS No.: | 32990-47-9 |
---|---|
Name: | 4-METHYLTHIOPHENE-2-CARBONYL CHLORIDE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C6H5ClOS |
Molecular Weight: | 160.62 |
Synonyms: | 4-Methyl-2-thiophenecarbonylchloride;4-Methyl-2-thiophenecarboxylic acid chloride; |
Density: | 1.32 g/cm3 |
Boiling Point: | 232.9 °C at 760 mmHg |
Flash Point: | 94.6 °C |
Hazard Symbols: | Xi,C |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 45.31000 |
LogP: | 2.43550 |
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The 2-Thiophenecarbonylchloride, 4-methyl-, with the CAS registry number 32990-47-9, is also known as 4-Methylthiophene-2-yl-carbonyl chloride. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Thiophenes. This chemical's molecular formula is C6H5ClOS and molecular weight is 160.62. What's more, its systematic name is called 4-Methylthiophene-2-carbonyl chloride.
Physical properties about 2-Thiophenecarbonylchloride, 4-methyl- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.82; (6)ACD/BCF (pH 7.4): 35.82; (7)ACD/KOC (pH 5.5): 450.9; (8)ACD/KOC (pH 7.4): 450.9; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.31 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 39.7 cm3; (15)Molar Volume: 121.5 cm3; (16)Surface Tension: 43.2 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 94.6 °C; (19)Enthalpy of Vaporization: 46.96 kJ/mol; (20)Boiling Point: 232.9 °C at 760 mmHg; (21)Vapour Pressure: 0.0576 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)c1scc(c1)C
(2) InChI: InChI=1/C6H5ClOS/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3
(3) InChIKey: LUEKBBMZPLXIQR-UHFFFAOYAH