3-Thiophenecarboxylicacid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester supplier

Name
2-(2-CHLORO-ACETYLAMINO)-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
EINECS
CAS No. 60442-34-4
Article Data4
CAS DataBase
Density 1.311g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄ClNO₃S
Boiling Point 422.8 °C at 760 mmHg
Molecular Weight 275.756
Flash Point 209.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Thiophenecarboxylicacid, 2-[(chloroacetyl)amino]-4,5-dimethyl-, ethyl ester (9CI);
PSA 83.64000
LogP 2.79190

3-Thiophenecarboxylicacid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester Specification

The 3-Thiophenecarboxylicacid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester, with CAS registry number 60442-34-4, belongs to the following product category: Thiophene. It has the systematic name of ethyl 2-[(chloroacetyl)amino]-4,5-dimethylthiophene-3-carboxylate. And the chemical formula of this chemical is C₁₁H₁₄ClNO₃S.

Physical properties of 3-Thiophenecarboxylicacid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 338.43; (6)ACD/BCF (pH 7.4): 338.42; (7)ACD/KOC (pH 5.5): 2250.07; (8)ACD/KOC (pH 7.4): 2250.03; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 74.85 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 69.81 cm³; (15)Molar Volume: 210.3 cm³; (16)Polarizability: 27.67×10^-24cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 209.5 °C; (20)Enthalpy of Vaporization: 67.7 kJ/mol; (21)Boiling Point: 422.8 °C at 760 mmHg; (22)Vapour Pressure: 2.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1sc(c(c1C(=O)OCC)C)C)CCl
(2)InChI: InChI=1/C11H14ClNO3S/c1-4-16-11(15)9-6(2)7(3)17-10(9)13-8(14)5-12/h4-5H2,1-3H3,(H,13,14)
(3)InChIKey: DEYWPOMMNZZPJB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C11H14ClNO3S/c1-4-16-11(15)9-6(2)7(3)17-10(9)13-8(14)5-12/h4-5H2,1-3H3,(H,13,14)
(5)Std. InChIKey: DEYWPOMMNZZPJB-UHFFFAOYSA-N

Product Name

2-(2-CHLORO-ACETYLAMINO)-4,5-DIMETHYL-THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER

3-Thiophenecarboxylicacid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester Specification

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