Basic information
- CAS
2096341-53-4- Standard SMILES
CC(C)Oc1cc(B(O)O)ccc1C(F)(F)F- InChIKey
XSWWHVQQUGGXQP-UHFFFAOYSA-N- Molecular formula
- C10H12BF3O3
- Average molar mass
- 248.01 g/mol
Names & identifiers
- Preferred name
- 3-Isopropoxy-4-(trifluoromethyl)phenylboronic acid
- IUPAC
- [3-propan-2-yloxy-4-(trifluoromethyl)phenyl]boronic acid
- English name
- 3-Isopropoxy-4-(trifluoromethyl)phenylboronic acid
- Molecular formula
- C10H12BF3O3
- Molecular weight
- 248.01
Names & synonyms
3-Isopropoxy-4-(trifluoromethyl)phenylboronic acid2096341-53-4(3-Isopropoxy-4-(trifluoromethyl)phenyl)boronic acidMFCD21609515[3-isopropoxy-4-(trifluoromethyl)phenyl]boronic acidBS-34051CS-0178384G70021F623289(3-Isopropoxy-4-(trifluoromethyl)phenyl)boronicacid[3-(propan-2-yloxy)-4-(trifluoromethyl)phenyl]boronic acid[3-propan-2-yloxy-4-(trifluoromethyl)phenyl]boronic acid
Show more names
Boronic acid, B-[3-(1-methylethoxy)-4-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
2096341-53-4
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 340.8 · 340.8±52.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 7.48 · 7.48±0.10(Predicted)
- Appearance
- White to off-white Solid
- 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
Suppliers12 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司18455579438
湖南氩氡医药科技有限公司13764359345 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
上海思阔化学科技有限公司021-33758897 13916453957 · [email protected]
Shanghai Scochem Technology Co., Ltd+86-021-33758897 +86-13701882790 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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