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CAS No.: | 96919-49-2 |
---|---|
Name: | 2-THIOPHEN-3-YL-PHENYLAMINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H9NS |
Molecular Weight: | 175.254 |
Synonyms: | 2-(3-Thienyl)benzenamine; |
Density: | 1.196 g/cm3 |
Melting Point: | 39-40 °C(Solv: hexane (110-54-3)) |
Boiling Point: | 277 °C at 760 mmHg |
Flash Point: | 121.3 °C |
PSA: | 54.26000 |
LogP: | 3.57850 |
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The Benzenamine, 2-(3-Thienyl)-, with the CAS registry number 96919-49-2, is also known as 2-(3-Thienyl)benzenamine. This chemical's molecular formula is C10H9NS and molecular weight is 175.2502. What's more, its systematic name is 2-Thiophen-3-ylaniline.
Physical properties about Benzenamine, 2-(3-Thienyl)- are: (1)ACD/LogP: 2.36; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.35; (6)ACD/BCF (pH 7.4): 36.56; (7)ACD/KOC (pH 5.5): 454.92; (8)ACD/KOC (pH 7.4): 457.55; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 53.46 cm3; (15)Molar Volume: 146.4 cm3; (16)Polarizability: 21.19×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 121.3 °C; (20)Enthalpy of Vaporization: 51.55 kJ/mol; (21)Boiling Point: 277 °C at 760 mmHg; (22)Vapour Pressure: 0.00465 mmHg at 25 °C.
Preparation of Benzenamine, 2-(3-thienyl)-: this chemical can be prepared by 3-(o-Ntrophenyl)thiophene. This reaction needs reagents Ion, Amonium chloride and sovent Aq.ethanol. The reaction time is 2 hours.The yield is 91%.
You can still convert the following datas into molecular structure:
(1) SMILES: s2ccc(c1c(cccc1)N)c2
(2) InChI: InChI=1/C10H9NS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h1-7H,11H2
(3) InChIKey: DMPDFHZOUOIWCO-UHFFFAOYAX