1,4-Bis(bromomethoxy)butane
Basic information
- CAS
53970-35-7- Standard SMILES
BrCOCCCCOCBr- InChIKey
LHTXHHKJVUNIOQ-UHFFFAOYSA-N- Molecular formula
- C6H12Br2O2
- Average molar mass
- 275.97 g/mol
- Monoisotopic mass
- 273.9204
Names & identifiers
- Preferred name
- 1,4-Bis(bromomethoxy)butane
- IUPAC
- 1,4-bis(bromomethoxy)butane
- English name
- 1,4-bis(bromomethoxy)butane
- Molecular formula
- C6H12Br2O2
- Molecular weight
- 275.97
Names & synonyms
1,4-Bis(bromomethoxy)butane53970-35-7EINECS 258-892-4DTXSID80202267NSC 233053RefChem:73134DTXCID80124758258-892-4HL2Y6K8YNLNSC-233053NSC233053UNII-HL2Y6K8YNL
Show more names
SCHEMBL11792132Butane, 1,4-bis(bromomethoxy)-LHTXHHKJVUNIOQ-UHFFFAOYSA-NDB-363100NS00032897
Database identifiers
- CAS
53970-35-7- PubChem CID
- 99519
- DTXSID
DTXSID80202267- UNII
- HL2Y6K8YNL
- EC Number
- 258-892-4
- Nikkaji
- J279.549C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 53.7
Physicochemical properties
- Boiling point
- 272.5 · 272.5±25.0 °C(Predicted)
- Density
- 1.655 · 1.655±0.06 g/cm3(Predicted)
- FDA UNII
- 2 Y6K8YNL · HL2Y6K8YNL
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Related reactions
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Compound notes
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