-
Name
Methyl 3-hydroxythiophene-2-carboxylate
- EINECS 692-439-5
- CAS No. 5118-06-9
- Article Data22
- CAS DataBase
- Density 1.373 g/cm3
- Solubility Slightly soluble in water.
- Melting Point 38-43 °C(lit.)
- Formula C6H6O3S
- Boiling Point 232.304 °C at 760 mmHg
- Molecular Weight 158.178
- Flash Point 94.295 °C
- Transport Information
- Appearance white to light yellow crystal powder
- Safety 22-24/25-37/39-26
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 2-(Carbomethoxy)-3-hydroxythiophene;3-Hydroxy-2-(methoxycarbonyl)thiophene;3-Hydroxy-2-thiophenecarboxylic acidmethyl ester;Methyl 3-hydroxy-2-thiophenecarboxylate;2-thiophenecarboxylic acid, 3-hydroxy-, methyl ester;
- PSA 74.77000
- LogP 1.24030
Methyl 3-hydroxythiophene-2-carboxylate Chemical Properties
Molecular Structure of Methyl 3-hydroxythiophene-2-carboxylate (CAS NO.5118-06-9):
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IUPAC Name: (2E)-2-[hydroxy(methoxy)methylidene]thiophen-3-one
Empirical Formula: C6H6O3S
Molecular Weight: 158.175
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 74.77Å2
Index of Refraction: 1.579
Molar Refractivity: 38.292 cm3
Molar Volume: 115.236 cm3
Surface Tension: 52.572 dyne/cm
Density: 1.373 g/cm3
Flash Point: 94.295 °C
Enthalpy of Vaporization: 48.803 kJ/mol
Boiling Point: 232.304 °C at 760 mmHg
Vapour Pressure: 0.039 mmHg at 25°C
Melting Point: 38-43 °C(lit.)
SMILES: O=C(OC)c1sccc1O
InChI: InChI=1/C6H6O3S/c1-9-6(8)5-4(7)2-3-10-5/h2-3,7H,1H3
Product Categories: Esters; Thiophenes & Benzothiophenes; Thiophenes & Benzothiophenes; Building Blocks; Heterocyclic Building Blocks; Thiophenes
Methyl 3-hydroxythiophene-2-carboxylate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: Irritant
Methyl 3-hydroxythiophene-2-carboxylate Specification
Methyl 3-hydroxythiophene-2-carboxylate , with CAS number of 5118-06-9, can be called Methyl-3-hydroxythiophen-2-carboxylat ; Methyl 3-hydroxythiophene-2-carboxylate ; 2-thiophenecarboxylic acid, 3-hydroxy-, methyl ester ; Methyl 3-hydroxy-2-thiophenecarboxylate ; 3-Hydroxy-2-thiophenecarboxylic acidmethyl ester ; 3-Hydroxy-2-(methoxycarbonyl)thiophene ; 2-(Carbomethoxy)-3-hydroxythiophene . It is a white to light yellow crystal powder.
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