Basic information
- CAS
1213895-29-4- Standard SMILES
N[C@H]1COc2c(F)cc(F)cc21- InChIKey
GEGMSPAFIBENDA-ZETCQYMHSA-N- Molecular formula
- C8H7F2NO
- Average molar mass
- 171.14 g/mol
Names & identifiers
- Preferred name
- (3R)-5,7-Difluoro-2,3-dihydro-1-benzofuran-3-amine
- IUPAC
- (3R)-5,7-difluoro-2,3-dihydro-1-benzofuran-3-amine
- English name
- (3R)-5,7-Difluoro-2,3-dihydro-1-benzofuran-3-amine
- Molecular formula
- C8H7F2NO
- Molecular weight
- 171.14
Names & synonyms
1213895-29-4(R)-5,7-Difluoro-2,3-dihydrobenzofuran-3-amine(3R)-5,7-Difluoro-2,3-dihydro-1-benzofuran-3-amineMFCD14562554AKOS030529409BS-14577CS-0162160N11258(3R)-5,7-difluoro-2,3-dihydrobenzofuran-3-amine(R)-5,7-DIFLUORO-2,3-DIHYDRO-1-BENZOFURAN-3-AMINE3-Benzofuranamine, 5,7-difluoro-2,3-dihydro-, (3R)-
Database identifiers
- CAS
1213895-29-4
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 187.8 · 187.8±40.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.66 · 7.66±0.20(Predicted)
- 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
Suppliers8 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
米诺化工有限公司0086-15313090952
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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