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CAS No.: | 5118-06-9 |
---|---|
Name: | Methyl 3-hydroxythiophene-2-carboxylate |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C6H6O3S |
Molecular Weight: | 158.178 |
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; |
EINECS: | 692-439-5 |
Density: | 1.373 g/cm3 |
Melting Point: | 38-43 °C(lit.) |
Boiling Point: | 232.304 °C at 760 mmHg |
Flash Point: | 94.295 °C |
Solubility: | Slightly soluble in water. |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25-37/39-26 |
PSA: | 74.77000 |
LogP: | 1.24030 |
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Molecular Structure of Methyl 3-hydroxythiophene-2-carboxylate (CAS NO.5118-06-9):
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
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 , 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.