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Benzene,1-ethynyl-4-(trifluoromethoxy)-

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Name

Benzene,1-ethynyl-4-(trifluoromethoxy)-

EINECS N/A
CAS No. 160542-02-9 Density 1.27 g/cm3
PSA 9.23000 LogP 2.56650
Solubility N/A Melting Point N/A
Formula C9H5F3O Boiling Point 158.1 °C at 760 mmHg
Molecular Weight 186.133 Flash Point 55.5 °C
Transport Information UN 1993 Appearance N/A
Safety 26-36/37-61 Risk Codes 22-36-43-51/53
Molecular Structure Molecular Structure of 160542-02-9 (4-(TRIFLUOROMETHOXY)PHENYLACETYLENE) Hazard Symbols IrritantXi, DangerousN, HarmfulXn
Synonyms

1-Ethynyl-4-trifluoromethoxybenzene;4-Ethynyl-1-trifluoromethoxybenzene;

Article Data 3

Benzene,1-ethynyl-4-(trifluoromethoxy)- Specification

The Benzene, 1-ethynyl-4-(trifluoromethoxy)-, with the CAS registry number 160542-02-9, is also known as 4-Ethynylphenyl trifluoromethyl ether. This chemical's molecular formula is C9H5F3O and molecular weight is 186.13. What's more, its systematic name is 1-Ethynyl-4-(trifluoromethoxy)benzene.

Physical properties about Benzene, 1-ethynyl-4-(trifluoromethoxy)- are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 207.28; (6)ACD/BCF (pH 7.4): 207.28; (7)ACD/KOC (pH 5.5): 1584.17; (8)ACD/KOC (pH 7.4): 1584.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 40.54 cm3; (15)Molar Volume: 146.2 cm3; (16)Polarizability: 16.07×10-24 cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 55.5 °C; (20)Enthalpy of Vaporization: 37.85 kJ/mol; (21)Boiling Point: 158.1 °C at 760 mmHg; (22)Vapour Pressure: 3.46 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. In addition, this chemical is harmful if swallowed. Besides, it is toxic to aquatic organisms, and it may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing and gloves. 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)(F)Oc1ccc(C#C)cc1
(2) InChI: InChI=1/C9H5F3O/c1-2-7-3-5-8(6-4-7)13-9(10,11)12/h1,3-6H
(3) InChIKey: RWWGGRCLMVYXPM-UHFFFAOYAH

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