Basic information
- CAS
1260665-00-6- Standard SMILES
Brc1cccc(C2COCCN2)c1- InChIKey
PVXORKMUACYCGX-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO
- Average molar mass
- 242.11 g/mol
- Monoisotopic mass
- 241.01023
Names & identifiers
- Preferred name
- 3-(3-Bromophenyl)morpholine
- IUPAC
- 3-(3-bromophenyl)morpholine
- English name
- 3-(3-Bromophenyl)morpholine
- Molecular formula
- C10H12BrNO
- Molecular weight
- 242.11
Names & synonyms
3-(3-BROMOPHENYL)MORPHOLINE1260665-00-6RefChem:274108MFCD18250308DTXSID901309977AB72729AT24399BS-45210SY390137CS-0143930EN300-303622F622313
Show more names
Morpholine, 3-(3-bromophenyl)-(S)-2-(3-phenoxyphenyl)pyrrolidine
Database identifiers
- CAS
1260665-00-6- PubChem CID
- 72213232
- DTXSID
DTXSID901309977- Nikkaji
- J3.702.508I
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 319.3 · 319.3±37.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- 8.14 · 8.14±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers18 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
江苏药泽医药科技有限公司18962082606 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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