1-Bromo-3,6-dioxaheptane
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Basic information
- CAS
54149-17-6- Standard SMILES
COCCOCCBr- InChIKey
HUXJXNSHCKHFIL-UHFFFAOYSA-N- Molecular formula
- C5H11BrO2
- Average molar mass
- 183.04 g/mol
- Monoisotopic mass
- 181.99424169
Names & identifiers
- Preferred name
- 1-Bromo-3,6-dioxaheptane
- IUPAC
- 1-(2-bromoethoxy)-2-methoxyethane
- English name
- 1-Bromo-2-(2-methoxyethoxy)ethane
- Molecular formula
- C5H11BrO2
- Molecular weight
- 183.04
Names & synonyms
1-Bromo-2-(2-methoxyethoxy)ethane54149-17-61-Bromo-3,6-dioxaheptaneEINECS 259-000-6DTXSID30202494RefChem:430346DTXCID30124985259-000-61-(2-bromoethoxy)-2-methoxyethanem-PEG2-BrmPEG2-BrEthane, 1-(2-bromoethoxy)-2-methoxy-
Show more names
DK815DKSI138DKFELEX0212CAS_54149-17-6Bromo-PEG2-methoxyMethyl-PEG2-bromideMONO METHOXY PEG BROMIDE1-BROMO-(2-METHOXYETHOXY)ETHANE
MFCD000002381-(2-bromoethoxy)-2-methoxy-ethane2-(2-methoxyethoxy)ethyl bromide1-Bromo-2-(2-methoxyethoxy)ethane (stabilized with Na2CO3)1-Bromo-2-(methoxyethoxy)ethaneAKOS000169158Ethylene Glycol 2-Bromoethyl Methyl EtherB4736
Database identifiers
- CAS
54149-17-6- PubChem CID
- 123532
- DTXSID
DTXSID30202494- UNII
- H9KCU93SFZ
- EC Number
- 259-000-6
- Nikkaji
- J279.590F
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 41.4
Physicochemical properties
- Boiling point
- 156 °C · 156 °C (lit.) 37-40 °C/0.01 mmHg (lit.)
- Density
- 1.36 g/mL · 1.3600 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 163 °F · 163 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless to pale yellow
- Water Solubility
- Not miscible in water.
- Sensitive
- Light Sensitive
- BRN
- 2069579 · 2069579
- InChI
- InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
- InChIKey
- HUXJXNSHCKHFIL-UHFFFAOYSA-N
- SMILES
- C(OCCBr)COC
- CAS DataBase Reference
- 54149 · 54149-17-6(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-Bromo-2-(2-methoxyethoxy)ethane(54149-17-6)
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
Warning
H227 (50%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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. 4 (50%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 2909199090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Applications
Uses1-Bromo-2-(2-methoxyethoxy)ethane is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
144 records
Compound notes
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