CAS No.5333-83-5,2-N-BUTYRYLTHIOPHENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5333-83-5
Name:	2-N-BUTYRYLTHIOPHENE
Article Data:	27

Formula:	C₈H₁₀OS
Molecular Weight:	154.233
Synonyms:	Ketone,propyl 2-thienyl (8CI);1-(2-Thienyl)butan-1-one;1-(Thien-2-yl)butanone;2-Butanoylthiophene;2-Butyrylthiophene;NSC 2350;
EINECS:	226-246-0
Density:	1.075 g/cm³
Boiling Point:	245.8 °C at 760 mmHg
Flash Point:	102.4 °C
Hazard Symbols:	Xi
Safety:	23-24/25
PSA:	45.31000
LogP:	2.73090

Total:23 Page 1 of 1 1

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Specification

The 1-Butanone,1-(2-thienyl)-, with CAS registry number 5333-83-5, belongs to the following product category: Pharmacetical. It has the systematic name of 1-(thiophen-2-yl)butan-1-one. And the chemical formula of this chemical is C₈H₁₀OS. What's more, its EINECS is 226-246-0. When use this chemical, do not breathe vapour and avoid contact with skin and eyes.

Physical properties of 1-Butanone,1-(2-thienyl)-: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.88; (6)ACD/BCF (pH 7.4): 33.88; (7)ACD/KOC (pH 5.5): 433.23; (8)ACD/KOC (pH 7.4): 433.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 45.31 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 43.93 cm³; (15)Molar Volume: 143.4 cm³; (16)Polarizability: 17.41×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.075 g/cm³; (19)Flash Point: 102.4 °C; (20)Enthalpy of Vaporization: 48.29 kJ/mol; (21)Boiling Point: 245.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0282 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sccc1)CCC
(2)InChI: InChI=1/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
(3)InChIKey: YXHIINNJOGKPLF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3
(5)Std. InChIKey: YXHIINNJOGKPLF-UHFFFAOYSA-N