Basic information
- CAS
52446-52-3- Standard SMILES
BrCCc1ccc(OCc2ccccc2)cc1- InChIKey
MKOBEVFCFUMCGG-UHFFFAOYSA-N- Molecular formula
- C15H15BrO
- Average molar mass
- 291.18 g/mol
- Monoisotopic mass
- 290.0306272
Names & identifiers
- Preferred name
- 1-(Benzyloxy)-4-(2-bromoethyl)benzene
- IUPAC
- 1-(2-bromoethyl)-4-phenylmethoxybenzene
- English name
- 1-(2-Bromoethyl)-4-(phenylmethoxy)benzene
- Molecular formula
- C15H15BrO
- Molecular weight
- 291.18
Names & synonyms
52446-52-31-(benzyloxy)-4-(2-bromoethyl)benzeneDTXSID00586273RefChem:226126DTXCID505370381-(2-BROMOETHYL)-4-(PHENYLMETHOXY)BENZENEBenzene, 1-(2-bromoethyl)-4-(phenylmethoxy)-1-(2-bromoethyl)-4-phenylmethoxybenzene1-benzyloxy-4-(2-bromoethyl)benzene4-benzyloxyphenethyl bromideSCHEMBL3106481MKOBEVFCFUMCGG-UHFFFAOYSA-N
Show more names
1-bromo-2-(4-benzyloxyphenyl)ethane
MFCD08694249AKOS000280388DA-30711H587091-(2-bromoethyl)-4-[(phenylmethyl)oxy]benzeneA1-04922
Database identifiers
- CAS
52446-52-3- PubChem CID
- 16638827
- DTXSID
DTXSID00586273
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 62 · 62-63 °C
- Boiling point
- 374.6 · 374.6±22.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers7 total
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
合肥瑞科昇生物科技有限公司0551-66336380 18956014586 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
9 records
Compound notes
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