5-Methyl-2-thiophenecarboxylic acid
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5-Methyl-2-thiophenecarboxylic acid
structure -
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CAS No:
1918-79-2
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Formula:
C6H6O2S
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Chemical Name:
5-Methyl-2-thiophenecarboxylic acid
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Synonyms:
2-Thiophenecarboxylic acid,5-methyl-;5-Methyl-2-thiophenecarboxylic acid;2-Carboxy-5-methylthiophene;2-Methyl-5-thiophenecarboxylic acid;NSC 89698
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CAS No:
5-Methyl-2-thiophenecarboxylic acid Basic Attributes
142.18
142.18
113857
217-640-3
5SX6CX4FJB
89698
DTXSID60172712
29309090
Characteristics
65.5
1.9
Clear Liquid
1.365 (estimate)
138-139 °C
229.75°C (rough estimate)
120.0±21.8 °C
1.5300 (estimate)
Store in a cool, dry place. Keep container closed when not in use.
0.00258mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
22-24/25
Xi
Stable under normal temperatures and pressures.
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Methyl-2-thiophenecarboxylic acid Use and Manufacturing
General procedure: To a mixture of acetophenone (100 mg, 1 equiv) or phenylacetylene (1 equiv) in dioxane (5 mL), Oxone (2 equiv) and TFA (2 equiv) were added. The mixture was then heated to reflux for 10 h and then cooled to r.t. H
Computed Properties
Molecular Weight:142.18
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:142.00885060
Monoisotopic Mass:142.00885060
Topological Polar Surface Area:65.5
Heavy Atom Count:9
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Methyl-2-thiophenecarboxylic acid
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