CAS No.105707-24-2,2-ACETYL-3-AMINO-5-PHENYLTHIOPHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	105707-24-2
Name:	2-ACETYL-3-AMINO-5-PHENYLTHIOPHENE

Formula:	C₁₂H₁₁NO_S
Molecular Weight:	217.291
Synonyms:	2-Acetyl-3-amino-5-phenylthiophene;
Density:	1.22 g/cm³
Melting Point:	135 °C
Boiling Point:	446.7 °C at 760 mmHg
Flash Point:	223.9 °C
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	71.33000
LogP:	3.78110

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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 C₁₂H₁₁NO_S 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