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Basic information
- CAS
1063734-69-9- Standard SMILES
COc1ccc(CC2CNCCOC2)cc1F- InChIKey
UOBUABVMMNVZQB-UHFFFAOYSA-N- Molecular formula
- C13H18FNO2
- Average molar mass
- 239.29 g/mol
- Monoisotopic mass
- 239.13215704
Names & identifiers
- Preferred name
- 6-[(3-Fluoro-4-methoxyphenyl)methyl]hexahydro-1,4-oxazepine
- IUPAC
- 6-[(3-Fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
- English name
- 1,4-Oxazepine, 6-[(3-fluoro-4-methoxyphenyl)methyl]hexahydro-
- Molecular formula
- C13H18FNO2
- Molecular weight
- 239.29
Names & synonyms
1,4-Oxazepine, 6-[(3-fluoro-4-methoxyphenyl)methyl]hexahydro-
Database identifiers
- CAS
1063734-69-9- PubChem CID
- 57732111
- DTXSID
DTXSID201189621
Properties
Physicochemical properties
- Boiling point
- 347.8 · 347.8±37.0 °C(Predicted)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- pka
- 9.8 · 9.80±0.40(Predicted)
- form
- solid
- InChI
- 1S/C13H18FNO2/c1-16-13-3-2-10(7-12(13)14)6-11-8-15-4-5-17-9-11/h2-3,7,11,15H,4-6,8-9H2,1H3
- InChIKey
- UOBUABVMMNVZQB-UHFFFAOYSA-N
- SMILES
- FC1=CC(CC2CNCCOC2)=CC=C1OC
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P280-P332+P313-P337+P313-P362+P364
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P280-P332+P313-P337+P313-P362+P364
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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