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2-Acetyl-3-amino-5-phenylthiophene

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Name

2-Acetyl-3-amino-5-phenylthiophene

EINECS N/A
CAS No. 105707-24-2 Density 1.22 g/cm3
PSA 71.33000 LogP 3.78110
Solubility N/A Melting Point 135 °C
Formula C12H11NOS Boiling Point 446.7 °C at 760 mmHg
Molecular Weight 217.291 Flash Point 223.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 105707-24-2 (2-ACETYL-3-AMINO-5-PHENYLTHIOPHENE) Hazard Symbols R36/37/38:;
Synonyms

2-Acetyl-3-amino-5-phenylthiophene;

 

2-Acetyl-3-amino-5-phenylthiophene Specification

The 2-Acetyl-3-amino-5-phenylthiophene, with the CAS registry number 105707-24-2, is also known as Ethanone, 1-(3-amino-5-phenyl-2-thienyl)- and 1-(3-Amino-5-phenyl-2-thienyl)ethan-1-one. This chemical's molecular formula is C12H11NOS and formula weight is 217.29. What's more, both its IUPAC name and systematic name are the same which is called 1-(3-Amino-5-phenylthiophen-2-yl)ethanone.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 48.55 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 63.49 cm3; (9)Molar Volume: 178 cm3; (10)Surface Tension: 50.6 dyne/cm; (11)Density: 1.22 g/cm3; (12)Flash Point: 223.9 °C; (13)Enthalpy of Vaporization: 70.49 kJ/mol; (14)Boiling Point: 446.7 °C at 760 mmHg; (15)Vapour Pressure: 3.58E-08 mmHg at 25°C; (16)Melting Point: 135 °C.

Uses of 2-Acetyl-3-amino-5-phenylthiophene: it can be used to produce N-[(2-Acetyl-5-phenyl-3-thienyl)]succinamate. This reaction will need reagent triethylamine and solvent xylene with reaction time of 5 hours. The yield is about 78%.

When you are using this chemical, please be cautious about it as the following:
This chemical will irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1=C(C=C(S1)C2=CC=CC=C2)N
(2)InChI: InChI=1S/C12H11NOS/c1-8(14)12-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3
(3)InChIKey: QAHOJPMILKVSAA-UHFFFAOYSA-N

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