Basic information
- Standard SMILES
COc1c(Br)ccc2ccccc12- InChIKey
UOVMWQHKZYGAGR-UHFFFAOYSA-N- Molecular formula
- C11H9BrO
- Average molar mass
- 237.09 g/mol
- Monoisotopic mass
- 235.98367701
Names & identifiers
- Preferred name
- 2-Bromo-1-methoxynaphthalene
- IUPAC
- 2-bromo-1-methoxynaphthalene
- English name
- 2-bromo-1-methoxynaphthalene
- Molecular formula
- C11H9BrO
- Molecular weight
- 237.09
Names & synonyms
2-Bromo-1-methoxynaphthalene62012-54-8DTXSID50504361RefChem:256917DTXCID40455171MFCD170123541-Methoxy-2-bromonaphthaleneNaphthalene, 2-bromo-1-methoxy-2-bromo-1-methoxy-naphthaleneSCHEMBL8200761WLZ2922UOVMWQHKZYGAGR-UHFFFAOYSA-N
Show more names
AKOS015919648SY110202TS-00678DB-010945CS-0041682F21158F067595
Database identifiers
- CAS
62012-54-8- PubChem CID
- 12612830
- DTXSID
DTXSID50504361- Nikkaji
- J1.415.100A
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
- 161 °C · 161 °C(Press: 14 Torr)
- Density
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- light sensitive liquid
- color
- Clear brown
- InChI
- InChI=1S/C11H9BrO/c1-13-11-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3
- InChIKey
- UOVMWQHKZYGAGR-UHFFFAOYSA-N
- SMILES
- C1(OC)=C2C(C=CC=C2)=CC=C1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2909303890 · 2909303890
Safety & regulation
Safety data
- hs_code
- 2909303890
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Related reactions
2 records
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