Ethane-1,1,1,2,2-d5,2-bromo- supplier

Name
BROMOETHANE-D5
EINECS 222-944-4
CAS No. 3675-63-6
Article Data9
CAS DataBase
Density 1.525 g/cm³
Solubility
Melting Point -119 °C(lit.)
Formula C₂BrD₅
Boiling Point 39.2 °C at 760 mmHg
Molecular Weight 113.926
Flash Point −10 °F
Transport Information UN 1891
Appearance colorless liquid
Safety 28
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Ethane-d5,bromo- (6CI,7CI,8CI,9CI);Bromoethane-d5;Ethyl bromide-d5;Ethyl-d5 bromide;Pentadeuterioethyl bromide;Pentadeuteroethyl bromide;Perdeuterioethyl bromide;
PSA 0.00000
LogP 1.40120

Ethane-1,1,1,2,2-d5,2-bromo- Specification

The Ethane-1,1,1,2,2-d5,2-bromo-, with the CAS registry number 3675-63-6 and EINECS registry number 222-944-4, is also called Bromoethane-d5. It is a kind of clear colorless liquid. And the molecular formula of the chemical is C₂BrD₅.

The characteristics of Ethane-1,1,1,2,2-d5,2-bromo- are as followings: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.13; (6)ACD/BCF (pH 7.4): 11.13; (7)ACD/KOC (pH 5.5): 195.26; (8)ACD/KOC (pH 7.4): 195.26; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 19.04 cm³; (15)Molar Volume: 74.7 cm³; (16)Polarizability: 7.55×10^-24cm³; (17)Surface Tension: 23.1 dyne/cm; (18)Density: 1.525 g/cm³; (19)Enthalpy of Vaporization: 27.04 kJ/mol; (20)Boiling Point: 39.2 °C at 760 mmHg; (21)Vapour Pressure: 455 mmHg at 25°C.

Uses of Ethane-1,1,1,2,2-d5,2-bromo-: It can react with tetraethylammonium cyanide to produce pentadeuterio-propionitrile. And the yield is about 42%.

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better wash immediately with plenty of ... (to be specified by the manufacturer) after contacting with skin.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C([2H])([2H])C(Br)([2H])[2H]
(2)InChI: InChI=1/C2H5Br/c1-2-3/h2H2,1H3/i1D3,2D2
(3)InChIKey: RDHPKYGYEGBMSE-ZBJDZAJPED

Product Name

BROMOETHANE-D5

Ethane-1,1,1,2,2-d5,2-bromo- Specification

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