Bromoethane-2,2,2-d3
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Basic information
- CAS
7439-86-3- Standard SMILES
[2H]C([2H])([2H])CBr- InChIKey
RDHPKYGYEGBMSE-FIBGUPNXSA-N- Molecular formula
- C2H5Br
- Average molar mass
- 111.98 g/mol
- Monoisotopic mass
- 110.97629
Names & identifiers
- Preferred name
- Bromoethane-2,2,2-d3
- IUPAC
- 2-bromo-1,1,1-trideuterioethane
- English name
- BROMOETHANE-2,2,2-D3
- Molecular formula
- C2H2BrD3
- Molecular weight
- 111.98
Names & synonyms
Bromoethane-2,2,2-d37439-86-3DTXSID10480915RefChem:330296DTXCID10431725Bromoethane-d32-bromo-1,1,1-trideuterioethaneBromoethane D3SCHEMBL7038431-bromo(2,2,2-?H?)ethaneHAA43986Bromo(2,2,2-~2~H_3_)ethane
Show more names
ethyl-2,2,2-d3bromideBromoethane (2,2,2-D?, 98%)Ethane-1,1,1-d3,2-bromo- (7CI,8CI,9CI)
AKOS015912986Bromoethane-2,2,2-d3, 99 atom % DBROMOETHANE (2,2,2-D3, 98%)D99426
Database identifiers
- CAS
7439-86-3- PubChem CID
- 12216958
- DTXSID
DTXSID10480915- EC Number
- 685-816-0
Properties
Computed structural propertiesFilling in
- 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
- 1.5 g/mL · 1.500 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.4235(lit.)
- Flash point
- 10 °F · −10 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO, Ethyl Aceate, Methanol (Sparingly)
- form
- Oil
- color
- Colourless
- InChI
- 1S/C2H5Br/c1-2-3/h2H2,1H3/i1D3
- InChIKey
- RDHPKYGYEGBMSE-FIBGUPNXSA-N
- SMILES
- [2H]C([2H])([2H])CBr
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 74 · 74-96-4
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
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, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P318, P330, P370+P378, P403+P235, P405, P501, and P502 (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
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1891 6.1/PG 2
- risk_code
- 45-11-20/21/22-36/37/38-40-20/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- hazard_code
- F,T,Xn
- safety_code
- 53-16-26-36/37/39-45-36/37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302+H332-H351-H420
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Flam. Liq. 2Ozone 1
- Precautionary statements
- P202-P210-P301+P312-P304+P340+P312-P308+P313-P502
Chemistry & industry
Applications
UsesBROMOETHANE-2,2,2-D3,which is used in the synthesis of novel non-competitive antagonists of kainate Glu1/Glu2 receptors. Also it is used in the synthesis of tryptophan analogues.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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