1,1-Dibromo-2,2-diethoxyethane
Basic information
- CAS
761-17-1- Standard SMILES
CCOC(OCC)C(Br)Br- InChIKey
VPSWMEFJDCZIAC-UHFFFAOYSA-N- Molecular formula
- C6H12Br2O2
- Average molar mass
- 275.97 g/mol
- Monoisotopic mass
- 273.9204
Names & identifiers
- Preferred name
- 1,1-Dibromo-2,2-diethoxyethane
- IUPAC
- 1,1-dibromo-2,2-diethoxyethane
- English name
- Dibromoacetaldehyde diethyl acetal
- Molecular formula
- C6H12Br2O2
- Molecular weight
- 275.97
Names & synonyms
1,1-Dibromo-2,2-diethoxyethane761-17-1DTXSID80340911RefChem:213519DTXCID60291992898-428-3DIBROMOACETALDEHYDE DIETHYL ACETALDibromoacetaldehydediethylacetal1,1-dibromo-2,2-diethoxy-ethaneDibromacetaldehyddiathylacetalSCHEMBL9714704VPSWMEFJDCZIAC-UHFFFAOYSA-N
Show more names
Dibromoacetaldehyde diethyl acetal - [D3669]
1,1-Dibromo-2,2-diethoxyethane #MFCD08457885AKOS024263168Ethane, 1,1-dibromo-2,2-diethoxy-CS-0455602G19653EN300-26275611
Database identifiers
- CAS
761-17-1- PubChem CID
- 568497
- DTXSID
DTXSID80340911- EC Number
- 898-428-3
- Nikkaji
- J79.934C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 72.1
Physicochemical properties
- Boiling point
- 79 °C · 79 °C(Press: 3 Torr)
- Density
- 1.648 · 1.648±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H315-H319-H227
- Precautionary statements
- 501 · P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H331-H315-H319-H227
- Precautionary statements
- P501-P261-P270-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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