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Ethane,1,1'-oxybis[2-bromo- (5414-19-7)

Identification
Name:Ethane,1,1'-oxybis[2-bromo-
Synonyms:Ether,bis(2-bromoethyl) (6CI,7CI,8CI);1,1'-Oxybis[2-bromoethane];1,5-Dibromo-3-oxapentane;1-(2-Bromoethoxy)-2-bromoethane;1-Bromo-2-(2-bromoethoxy)ethane;2-(2-Bromoethoxy)ethyl bromide;2-Bromoethyl ether;3-Oxa-1,5-dibromopentane;Bis(2-bromoethyl) ether;Bis(b-bromoethyl) ether;Di(2-bromoethyl) ether;NSC 8025;b,b'-Dibromodiethyl ether;
CAS:5414-19-7
EINECS: 226-504-2
Molecular Formula: C4H8Br2O
Molecular Weight: 231.91
InChI: InChI=1/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
Molecular Structure: (C4H8Br2O) Ether,bis(2-bromoethyl) (6CI,7CI,8CI);1,1'-Oxybis[2-bromoethane];1,5-Dibromo-3-oxapentane;1-(2-Bromo...
Properties
Transport:2810
Flash Point: 185?
Density:1.845
Stability:This product may also contain 2-chloroethyl ether (CAS 111-44-4) or N,N-dimethylformamide (CAS 68-12-2) MSDS data for these materials should be consulted before use. Combustible. Incompatible with oxidizing agents, acid chlorides, chloroformates, reducing agents, halogens.
Refractive index:1.513
Water Solubility:immiscible in water
Solubility:immiscible in water
Appearance:colourless liquid
Specification:

The Ethane,1,1'-oxybis[2-bromo-, with the cas registry number 5414-19-7, has the IUPAC name of 1-bromo-2-(2-bromoethoxy)ethane. Being a kind of colourless liquid, it is combustible and incompatible with oxidizing agents, acid chlorides, chloroformates, reducing agents, halogens. And its product categories are various, including Aliphatics; Halides; Ethers; Organic Building Blocks; Oxygen Compounds.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.64; (6)ACD/BCF (pH 7.4): 15.64; (7)ACD/KOC (pH 5.5): 249.2; (8)ACD/KOC (pH 7.4): 249.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 37.78 cm3; (15)Molar Volume: 127.2 cm3; (16)Polarizability: 14.98 ×10-24 cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.821 g/cm3; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 43.42 kJ/mol; (21)Boiling Point: 216.3 °C at 760 mmHg; (22)Vapour Pressure: 0.207 mmHg at 25°C; (23)Exact Mass: 231.892143; (24)MonoIsotopic Mass: 229.89419; (25)Topological Polar Surface Area: 9.2; (26)Heavy Atom Count: 7; (27)Formal Charge: 0; (28)Complexity: 28.9.

When you are dealing with this chemical, you should be much more careful. For being a kind of irritant chemical to respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. If inadequately used, it may have risk of serious damage to eyes and may cause harm to the unborn child. Then it is toxic which may at low levels cause damage to health. Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). Then remember to avoid exposure - obtain special instructions before use.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(CBr)OCCBr
(2)InChI: InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
(3)InChIKey: FOZVXADQAHVUSV-UHFFFAOYSA-N 

Packinggroup: III
Flash Point: 185?
Safety Data
Hazard Symbols T:Toxic