CAS No.29112-90-1,2',5'-DIFLUOROPROPIOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	29112-90-1
Name:	2',5'-DIFLUOROPROPIOPHENONE

Formula:	C₉H₈F₂O
Molecular Weight:	170.156
Synonyms:	Propiophenone,2',5'-difluoro- (8CI);1-(2,5-difluorophenyl)propan-1-one;1-Propanone, 1-(2,5-difluorophenyl)-;2',5'-Difluoropropiophenone;Propiophenone, 2',5'-difluoro-;
EINECS:	249-445-4
Density:	1.166 g/cm³
Boiling Point:	210.6 °C at 760 mmHg
Flash Point:	78.8 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-36/37
PSA:	17.07000
LogP:	2.55750

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Specification

The 1-Propanone,1-(2,5-difluorophenyl)-, with the CAS registry number 29112-90-1 and EINECS registry number 249-445-4, has the systematic name and IUPAC name of 1-(2,5-difluorophenyl)propan-1-one. It belongs to the product category of Miscellaneous. And the molecular formula of the chemical is C₉H₈F₂O.

The characteristics of 1-Propanone,1-(2,5-difluorophenyl)- are as followings: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.34; (6)ACD/BCF (pH 7.4): 19.34; (7)ACD/KOC (pH 5.5): 290.07; (8)ACD/KOC (pH 7.4): 290.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 40.9 cm³; (15)Molar Volume: 145.8 cm³; (16)Polarizability: 16.21×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.166 g/cm³; (19)Flash Point: 78.8 °C; (20)Enthalpy of Vaporization: 44.69 kJ/mol; (21)Boiling Point: 210.6 °C at 760 mmHg; (22)Vapour Pressure: 0.191 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1cc(F)ccc1F)CC
(2)InChI: InChI=1/C9H8F2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
(3)InChIKey: BXLHXHGCQFJTLA-UHFFFAOYAJ