4-Ethyl-5-methylthiophene-3-carboxylic acid - CAS 884497-34-1

Catalog:	BB045547
Product Name:	4-Ethyl-5-methylthiophene-3-carboxylic acid
CAS:	884497-34-1
Synonyms:	3-Thiophenecarboxylic acid, 4-ethyl-5-methyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-ethyl-5-methylthiophene-3-carboxylic acid
Description:	4-Ethyl-5-methylthiophene-3-carboxylic acid (CAS# 884497-34-1 ) is a useful research chemical.
Molecular Weight:	170.23
Molecular Formula:	C8H10O2S
Canonical SMILES:	CCC1=C(SC=C1C(=O)O)C
InChI:	InChI=1S/C8H10O2S/c1-3-6-5(2)11-4-7(6)8(9)10/h4H,3H2,1-2H3,(H,9,10)
InChI Key:	PLGXACUSGWZNKZ-UHFFFAOYSA-N
Boiling Point:	282.1 °C at 760 mmHg
Density:	1.211 g/cm³

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

Oxygen Compounds

[544-62-7]
Batyl alcohol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[123-43-3]
Sulfoacetic acid
[6633-90-5]
1,4-Butanedithiol diacetate
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

Thiophenes

[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid
[179556-14-0]
Ethyl 5-(methylsulfonamido)-1H-indole-2-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.04015073
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.04015073
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3