CAS No.42145-66-4,2-(1,1,2,2-TETRAFLUOROETHOXY)TOLUENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	42145-66-4
Name:	2-(1,1,2,2-TETRAFLUOROETHOXY)TOLUENE
Article Data:	1

Formula:	C₉H₈F₄O
Molecular Weight:	208.156
Synonyms:	1-Methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene;2-Methylphenyl 1,1,2,2-tetrafluoroethyl ether;
EINECS:	255-682-4
Density:	1.235g/cm³
Boiling Point:	175.9 °C at 760 mmHg
Flash Point:	59.4 °C
Hazard Symbols:	XiT
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 1993
PSA:	9.23000
LogP:	3.23170

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Specification

The 2-(1,1,2,2-Tetrafluoroethoxy)toluene, with cas registry number 42145-66-4, belongs to the following product categories: (1)Ethers; (2)Organic Building Blocks; (3)Oxygen Compounds. Its systematic name and its IUPAC name are the same, which is 1-methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 502.11; (6)ACD/BCF (pH 7.4): 502.11; (7)ACD/KOC (pH 5.5): 2984.24; (8)ACD/KOC (pH 7.4): 2984.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 42.96 cm³; (15)Molar Volume: 168.4 cm³; (16)Polarizability: 17.03×10^-24cm³; (17)Surface Tension: 23.7 dyne/cm; (18)Enthalpy of Vaporization: 39.53 kJ/mol; (19)Vapour Pressure: 1.51 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 2-(1,1,2,2-Tetrafluoroethoxy)toluene irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, it is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(Oc1ccccc1C)C(F)F
(2)InChI: InChI=1/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
(3)InChIKey: OHXFFMAUQJFAAF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
(5)Std. InChIKey: OHXFFMAUQJFAAF-UHFFFAOYSA-N