Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate supplier

Name
DIETHYL 5-AMINO-3-METHYL-2,4-THIOPHENEDICARBOXYLATE
EINECS 225-388-0
CAS No. 4815-30-9
Article Data28
CAS DataBase
Density 1.247 g/cm³
Solubility
Melting Point 105-108 °C(lit.)
Formula C₁₁H₁₅NO₄S
Boiling Point 372.6 °C at 760 mmHg
Molecular Weight 257.31
Flash Point 179.1 °C
Transport Information
Appearance slightly yellow to beige-yellow crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2,4-Thiophenedicarboxylic acid, 5-amino-3-methyl-, diethyl ester;5-Amino-3-methyl-thiophene-2,4-dicarboxylic acid;
PSA 106.86000
LogP 2.57330

Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate Specification

The Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate, with CAS registry number 4815-30-9, belongs to the following product categories: (1)Esters; (2)Thiophenes & Benzothiophenes; (3)Building Blocks; (4)Heterocyclic Building Blocks; (5)Thiophenes. It has the systematic name of ethyl 2-amino-4-methyl-5-propanoyloxy-thiophene-3-carboxylate. This chemical is a kind of slightly yellow to beige-yellow crystalline powder.

Physical properties of Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 106.86 Å²; (9)Index of Refraction: 1.554; (10)Molar Refractivity: 66.07 cm³; (11)Molar Volume: 206 cm³; (12)Polarizability: 26.19×10^-24cm³; (13)Surface Tension: 47.1 dyne/cm; (14)Enthalpy of Vaporization: 62.91 kJ/mol; (15)Vapour Pressure: 5.28E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(c(N)sc1OC(=O)CC)C(=O)OCC
(2)InChI: InChI=1/C11H15NO4S/c1-4-7(13)16-11-6(3)8(9(12)17-11)10(14)15-5-2/h4-5,12H2,1-3H3
(3)InChIKey: NHOSPKZYZRKNQQ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C11H15NO4S/c1-4-7(13)16-11-6(3)8(9(12)17-11)10(14)15-5-2/h4-5,12H2,1-3H3
(5)Std. InChIKey: NHOSPKZYZRKNQQ-UHFFFAOYSA-N

Product Name

DIETHYL 5-AMINO-3-METHYL-2,4-THIOPHENEDICARBOXYLATE

Diethyl 5-amino-3-methylthiophene-2,4-dicarboxylate Specification

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