Bromoethane-[2H5]
Basic information
- CAS
3675-63-6- Standard SMILES
[2H]C([2H])([2H])C([2H])([2H])Br- InChIKey
RDHPKYGYEGBMSE-ZBJDZAJPSA-N- Molecular formula
- C2H5Br
- Average molar mass
- 114 g/mol
- Monoisotopic mass
- 112.98885
Names & identifiers
- Preferred name
- Bromoethane-[2H5]
- IUPAC
- 1-bromo-1,1,2,2,2-pentadeuterioethane
- English name
- BROMOETHANE-D5
- Molecular formula
- C2BrD5
- Molecular weight
- 114
Names & synonyms
3675-63-6Bromoethane-(2H5)EINECS 222-944-4Bromoethane-[2H5]DTXSID10190209RefChem:570346DTXCID70112700222-944-4Bromoethane-d51-bromo-1,1,2,2,2-pentadeuterioethaneBROMOETHANE-D5-DBromoethane-D5 (D, 99%)
Show more names
Deuterated bromoethaneETHYL-D5 BROMIDEEthane-d5, bromo-[2H5]-Bromoethane(2H5)Ethyl bromidebromoethane-d599atom%dBromoethane-d5(D, 98%)
MFCD00143876bromoethane-dBromo(~2~H_5_)ethaneSCHEMBL701671Bromoethane-d5, 99 atom % DRDHPKYGYEGBMSE-ZBJDZAJPSA-N1-bromoethane-1,1,2,2,2-d5AKOS015915602
Database identifiers
- CAS
3675-63-6- PubChem CID
- 2733136
- DTXSID
DTXSID10190209- EC Number
- 222-944-4
- Nikkaji
- J207.894E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2.8
Physicochemical properties
- Melting point
- -119 °C · -119 °C(lit.)
- Boiling point
- 37 · 37-40 °C(lit.)
- Density
- 1.527 g/mL · 1.527 g/mL at 25 °C
- vapor pressure
- 7.96 psi · 7.96 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.4205(lit.)
- Flash point
- 10 °F · −10 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile, Chloroform, DMSO (Soluble), Methanol (Sligthly)
- form
- Oil
- color
- Colourless
- BRN
- 1698455 · 1698455
- InChI
- InChI=1S/C2H5Br/c1-2-3/h2H2,1H3/i1D3,2D2
- InChIKey
- RDHPKYGYEGBMSE-ZBJDZAJPSA-N
- SMILES
- C([2H])([2H])(C([2H])([2H])[2H])Br
- CAS DataBase Reference
- 3675 · 3675-63-6
- UNSPSC Code
- 12352005 · 12352005
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P318, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationEthane-d5, bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- F
- 3-8-10
- wgk
- 3
- ridadr
- UN 1891 6.1/PG 2
- hs_code
- 28459000
- risk_code
- 20/21/22-40-20/22-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- Xn,F
- safety_code
- 28-36/37
- hazard_class
- 3, 6.1
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302-H351-H420
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
Chemistry & industry
Applications
UsesBROMOETHANE-D5, which is used in the synthesis of novel non-competitive antagonists of kainate Glu1/Glu2 receptors. It is used in the synthesis of tryptophan analogues.
Upstream & downstream products
Downstream products
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Compound notes
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