Vinyl-d3 bromide
Basic information
- CAS
4666-78-8- Standard SMILES
[2H]C([2H])=C([2H])Br- InChIKey
INLLPKCGLOXCIV-FUDHJZNOSA-N- Molecular formula
- C2H3Br
- Average molar mass
- 109.97 g/mol
- Monoisotopic mass
- 108.96064
Overview
See also: Ethene-d3, bromo- (annotation moved to).
Names & identifiers
- Preferred name
- Vinyl-d3 bromide
- IUPAC
- 1-bromo-1,2,2-trideuterioethene
- English name
- VINYL-D3 BROMIDE
- Molecular formula
- C2BrD3
- Molecular weight
- 109.97
Names & synonyms
Vinyl-d3 bromideRefChem:901938686-150-34666-78-81-bromo-1,2,2-trideuterioetheneVinyl-d3 Bromide (gas)1-bromo(?H?)etheneBromo(~2~H_3_)etheneSCHEMBL23496751DTXSID50963631INLLPKCGLOXCIV-FUDHJZNOSA-NDB-257281
Show more names
Ethene-d3, bromo-VINYL BROMIDE (D3)VINYL-D3 BROMIDE, 98 ATOM % DVinyl-d3 Bromide, Solution in THFVinyl bromide (D?, 98%) + hydroquinoneVinyl-d3 Bromide, Solution in THF (1M)
D98575Vinyl-d3 Bromide (gas) (stabilized with hydroquinone)Vinyl-d3 bromide, >=98 atom % D, >=99% (CP), contains hydroquinone as stabilizer
Database identifiers
- CAS
4666-78-8- PubChem CID
- 16213622
- DTXSID
DTXSID50963631- EC Number
- 686-150-3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 10.3
Physicochemical properties
- Melting point
- -139 °C · -139 °C(lit.)
- Boiling point
- 16 °C/750 · 16 °C/750 mmHg(lit.)
- Density
- 1.56 g/mL · 1.56 g/mL at 25 °C(lit.)
- vapor density
- 3.8 · 3.8 (vs air)
- vapor pressure
- 1551 mmHg · 1551 mmHg ( 37.8 °C)
- refractive index
- 20 · n20/D 1.435(lit.)
- InChI
- 1S/C2H3Br/c1-2-3/h2H,1H2/i1D2,2D
- InChIKey
- INLLPKCGLOXCIV-FUDHJZNOSA-N
- SMILES
- [2H]\C([2H])=C(/[2H])Br
- UNSPSC Code
- 12352202 · 12352202
- CAS Number Unlabeled
- 593 · 593-60-2
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS04
- Signal word
- Danger
- Hazard statements
- 280 · H280-H350-H220
- Precautionary statements
- 410 · P410+P403-P210-P377-P381-P403
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
H220 (100%): Extremely flammable gas [Danger Flammable gases]
P203, P210, P222, P280, P318, P377, P381, P403, P405, P410+P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Gas 1 (100%)
Safety data
- wgk
- WGK 3
- ridadr
- UN 1085 2.1
- risk_code
- 45-12
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS04
- hazard_code
- F+,T
- safety_code
- 53-45
- Storage Class
- 2A - Gases
- Hazard statements
- H280-H350-H220
- Hazard Classifications
- Carc. 1BFlam. Gas 1APress. Gas Liquefied gas
- Autoignition Temperature
- 986°F
- Precautionary statements
- P410+P403-P210-P377-P381-P403
Chemistry & industry
Applications
UsesA short-chain haloalkene isotope.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…