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Basic information
- CAS
13247-80-8- Standard SMILES
BrCCOc1ccc2ccccc2c1- InChIKey
NKALVESVNGTFHZ-UHFFFAOYSA-N- Molecular formula
- C12H11BrO
- Average molar mass
- 251.12 g/mol
- Monoisotopic mass
- 249.99933
Names & identifiers
- Preferred name
- 2-(2-Bromoethoxy)naphthalene
- IUPAC
- 2-(2-bromoethoxy)naphthalene
- English name
- Naphthalene, 2-(2-bromoethoxy)-
- Molecular formula
- C12H11BrO
- Molecular weight
- 251.12
Names & synonyms
2-(2-bromoethoxy)naphthalene13247-80-8naphthalene, 2-(2-bromoethoxy)-DTXSID10348788RefChem:84009DTXCID90299860InChI=1/C12H11BrO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8HSCHEMBL2203164SCHEMBL5559113CHEMBL1819057NKALVESVNGTFHZ-UHFFFAOYSA-N2-bromo-1-(2-naphthyloxy)ethane
Show more names
1-bromo-2-(2-naphthyloxy)-ethaneNAA24780SBB100898AKOS000174345DS-022407CS-0216206EN300-36503G54554
Database identifiers
- CAS
13247-80-8- PubChem CID
- 640692
- DTXSID
DTXSID10348788- ChEMBL
CHEMBL1819057- Nikkaji
- J708.415C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 91.5 · 91.5-92.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 156 °C · 156 °C(Press: 1 Torr)
- Density
- 1.416 · 1.416±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
Chemistry & industry
Suppliers7 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
7 records
Compound notes
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