Basic information
- CAS
190060-72-1- Standard SMILES
Nc1ccc(OCc2ccccc2)cc1F- InChIKey
SDMVHDKRUHLVKO-UHFFFAOYSA-N- Molecular formula
- C13H12FNO
- Average molar mass
- 217.24 g/mol
- Monoisotopic mass
- 217.09029222
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-2-fluoroaniline
- IUPAC
- 2-fluoro-4-phenylmethoxyaniline
- English name
- Benzenamine, 2-fluoro-4-(phenylmethoxy)-
- Molecular formula
- C13H12FNO
- Molecular weight
- 217.24
Names & synonyms
4-(Benzyloxy)-2-fluoroaniline190060-72-12-Fluoro-4-phenylmethoxyanilineBenzenamine, 2-fluoro-4-(phenylmethoxy)-4-benzyloxy-2-fluoroanilineMFCD161548344-benzyloxy-2-fluoro-anilineSCHEMBL519206DTXSID20467636SDMVHDKRUHLVKO-UHFFFAOYSA-NAKOS010943746SB77076
Show more names
4-(Benzyloxy)-2-Fluoroanilin
BS-21961DB-099542E88065A1-05065
Database identifiers
- CAS
190060-72-1- PubChem CID
- 11499809
- DTXSID
DTXSID20467636
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 336.4 · 336.4±27.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- 3.77 · 3.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-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+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南通韦恩迪医药科技有限公司18071612016 · [email protected]
Related reactions
24 records
Compound notes
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