(2-Bromo-1-methoxyethyl)benzene
Basic information
- CAS
13685-00-2- Standard SMILES
COC(CBr)c1ccccc1- InChIKey
XLUICHSZBNGJHF-UHFFFAOYSA-N- Molecular formula
- C9H11BrO
- Average molar mass
- 215.09 g/mol
- Monoisotopic mass
- 213.99933
Names & identifiers
- Preferred name
- (2-Bromo-1-methoxyethyl)benzene
- IUPAC
- (2-bromo-1-methoxyethyl)benzene
- English name
- (2-bromo-1-methoxyethyl)benzene
- Molecular formula
- C9H11BrO
- Molecular weight
- 215.08704
Names & synonyms
(2-Bromo-1-methoxyethyl)benzene13685-00-2Benzene, (2-bromo-1-methoxyethyl)-EINECS 237-200-4AI3-11725NSC 155563RefChem:68572237-200-4NSC155563SCHEMBL2067077XLUICHSZBNGJHF-UHFFFAOYSA-NDTXSID001303439
Show more names
1-Phenyl-1-methoxy-2-bromoethane1-(2-bromo-1-methoxyethyl)benzeneMethyl(1-phenyl-2-bromoethyl) ether
NAA68500NAA83159AKOS011393226NSC-155563DB-361915NS00052290EN300-204543G51783
Database identifiers
- CAS
13685-00-2- PubChem CID
- 98956
- DTXSID
DTXSID001303439- EC Number
- 237-200-4
- Nikkaji
- J264.989F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Boiling point
- 121 · 121-123 °C(Press: 20 Torr)
- Density
- 1.352 · 1.352±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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