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CAS No.: | 125903-81-3 |
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Name: | 3-(DIFLUOROMETHOXY)BENZYL ALCOHOL |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H8F2O2 |
Molecular Weight: | 174.14 |
Synonyms: | 3-(Difluoromethoxy)benzyl alcohol; |
Density: | 1.257 g/cm3 |
Boiling Point: | 242.2 °C at 760 mmHg |
Flash Point: | 118.9 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 29.46000 |
LogP: | 1.78030 |
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The Benzenemethanol, 3-(difluoromethoxy)-, with the CAS registry number 125903-81-3, is also known as 3-(Difluoromethoxy)benzyl alcohol. This chemical's molecular formula is C8H8F2O2 and molecular weight is 174.14. What's more, its systematic name is [3-(Difluoromethoxy)phenyl]methanol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from contact with oxidant. Besides, you should ensure that the work place is well-ventilated.
Physical properties about Benzenemethanol, 3-(difluoromethoxy)- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): 1.13; (5)ACD/BCF (pH 5.5): 4.25; (6)ACD/BCF (pH 7.4): 4.25; (7)ACD/KOC (pH 5.5): 98.06; (8)ACD/KOC (pH 7.4): 98.06; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 39.66 cm3; (15)Molar Volume: 138.5 cm3; (16)Polarizability: 15.72×10-24 cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.257 g/cm3; (19)Flash Point: 118.9 °C; (20)Enthalpy of Vaporization: 50.64 kJ/mol; (21)Boiling Point: 242.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0185 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)Oc1cc(ccc1)CO
(2) InChI: InChI=1/C8H8F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2
(3) InChIKey: BBDUCPSYPRGPGO-UHFFFAOYAC