1-Bromo-6-methoxynaphthalene
Basic information
- CAS
83710-62-7- Standard SMILES
COc1ccc2c(Br)cccc2c1- InChIKey
YWYUBKSTSJQFQI-UHFFFAOYSA-N- Molecular formula
- C11H9BrO
- Average molar mass
- 237.09 g/mol
- Monoisotopic mass
- 235.98368
Names & identifiers
- Preferred name
- 1-Bromo-6-methoxynaphthalene
- IUPAC
- 1-bromo-6-methoxynaphthalene
- English name
- 6-Methoxy-1-bromo naphthalene
- Molecular formula
- C11H9BrO
- Molecular weight
- 237.09
Names & synonyms
1-bromo-6-methoxynaphthalene83710-62-76-Methoxy-1-bromo naphthalene1-bromo-6-methoxy-naphthaleneMFCD04972487Naphthalene,1-bromo-6-methoxy-5-Brom-2-methoxy-naphthalin;NSC 1489631-bromo-6-methoxynaphthalene; (5-bromo-[2]naphthyl)-methyl ether; 1,6-dibromo-2-methoxy-naphthalene;6-Methoxy-1-bromonaphthaleneNaphthalene, 1-bromo-6-methoxy-NSC148963
Show more names
6-methoxy bromonaphthalene1-Bromo-6-methoxy-phthaleneSCHEMBL5507954SCHEMBL9365805SCHEMBL15564056DTXSID60302133YWYUBKSTSJQFQI-UHFFFAOYSA-NAC-858
Database identifiers
- CAS
83710-62-7- PubChem CID
- 288221
- DTXSID
DTXSID60302133- Nikkaji
- J2.958.607A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 124.5 · 124.5-126.0 °C(Press: 0.8 Torr)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C11H9BrO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h2-7H,1H3
- InChIKey
- YWYUBKSTSJQFQI-UHFFFAOYSA-N
- SMILES
- C1(Br)=C2C(C=C(OC)C=C2)=CC=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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