ETHYL 3-AMINO-5-(4-CHLOROPHENYL)THIOPHE&

The 2-Thiophenecarboxylicacid, 3-amino-5-(4-chlorophenyl)-, ethyl ester, with the CAS registry number 91076-94-7, is also known as 3-Amino-5-(4-chlorphenyl)-thiophen-2-carbonsäure-ethylester. This chemical's molecular formula is C₁₃H₁₂ClNO₂S and molecular weight is 281.76. What's more, its systematic name is Ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate and it belongs to the product categories of Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. The product is stable at common pressure and temperature, and it should be sealed and stored in containers which are placed in a cool and dry place. Besides, it should be protected from strong oxidizers.

Physical properties of 2-Thiophenecarboxylicacid, 3-amino-5-(4-chlorophenyl)-, ethyl ester are: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.62; (4)ACD/LogD (pH 7.4): 4.62; (5)ACD/BCF (pH 5.5): 1923.89; (6)ACD/BCF (pH 7.4): 1924.05; (7)ACD/KOC (pH 5.5): 7805.54; (8)ACD/KOC (pH 7.4): 7806.2; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 74.76 cm³; (15)Molar Volume: 212.8 cm³; (16)Polarizability: 29.63×10^-24 cm³; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.323 g/cm³; (19)Flash Point: 239.7 °C; (20)Enthalpy of Vaporization: 73.58 kJ/mol; (21)Boiling Point: 472.8 °C at 760 mmHg; (22)Vapour Pressure: 4.16E-09 mmHg at 25°C.

Uses of 2-Thiophenecarboxylicacid, 3-amino-5-(4-chlorophenyl)-, ethyl ester: it can be used to produce 6-(4-chloro-phenyl)-3-methyl-4-oxo-4H-1,5-dithia-3a,8-diaza-s-indacene-2-carboxylic acid ethyl ester at the temperature of 160 °C. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)N
(2)InChI: InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3
(3)InChIKey: VOIKQRXCKXHXNF-UHFFFAOYSA-N