CAS No.25837-05-2,ETHYLBENZENE-D10 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	25837-05-2
Name:	ETHYLBENZENE-D10
Article Data:	2

Formula:	C₈D₁₀
Molecular Weight:	116.088
Synonyms:	Benzene-d5,ethyl-d5- (8CI,9CI);(Ethyl-d5)benzene-d5;Ethylbenzene-d10;Perdeuteroethylbenzene;
EINECS:	247-292-8
Density:	0.95 g/cm³
Melting Point:	-95 °C(lit.)
Boiling Point:	136.2 °C at 760 mmHg
Flash Point:	25.9 °C
Hazard Symbols:	F,Xn,T
Risk Codes:	16-24/25-29-45-36/37
Safety:	16-24/25-29-45-36/37
PSA:	0.00000
LogP:	2.24900

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Specification

The Benzene-1,2,3,4,5-D5,6-(ethyl-1,1,2,2,2-D5)-, with the CAS registry number 25837-05-2, is also known as Ethylbenzene-D10 and (2H10)ethylbenzene. It belongs to the product categories of Alpha Sort; E; E-LAlphabetic; EQ - EZ; Volatiles/ Semivolatiles. Its EINECS registry number is 247-292-8. This chemical's molecular formula is C₈D₁₀ and molecular weight is 116.23. What's more its IUPAC name is 1,2,3,4,5-Pentadeuterio-6-(1,1,2,2,2-pentadeuterioethyl)benzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 161.95; (6)ACD/BCF (pH 7.4): 161.95; (7)ACD/KOC (pH 5.5): 1327.65; (8)ACD/KOC (pH 7.4): 1327.65; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 35.8 cm³; (15)Molar Volume: 122.2 cm³; (16)Polarizability: 14.19×10^-24cm³; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 25.9 °C; (20)Enthalpy of Vaporization: 35.57 kJ/mol; (21)Boiling Point: 136.2 °C at 760 mmHg; (22)Vapour Pressure: 9.21 mmHg at 25 °C.

Preparation of Benzene-1,2,3,4,5-D5,6-(ethyl-1,1,2,2,2-D5): this chemical can be prepared by Benzothiophene-D6. This reaction needs reagent D₂ and solvent Pentane and catalyst Nalco-477 at temperature of 350 °C. The reaction time is 3 hours. The yield is 80 %.

When you are dealing with this chemical, you should be very careful. It is highly flammable. It is harmful by inhalation.It is danger of very serious irreversible effects through inhalation, in contact with skin and it is danger if it is swallowed. It is toxic by inhalation, in contact with skin and it is toxic if it is swallowed. Therefore, you should keep away from sources of ignition - No smoking. Avoid contact with skin and eyes. Do not empty into drains. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible). You should wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c([2H])c([2H])c([2H])c1[2H])C([2H])([2H])C([2H])([2H])[2H]
(2) InChI: InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3/i1D3,2D2,3D,4D,5D,6D,7D
(3) InChIKey: YNQLUTRBYVCPMQ-CFTAVCBPEN