Basic information
- CAS
1256345-99-9- Standard SMILES
CC(C)COc1ccc(C(F)(F)F)cc1B(O)O- InChIKey
YYWZYPLOMFBKDT-UHFFFAOYSA-N- Molecular formula
- C11H14BF3O3
- Average molar mass
- 262.04 g/mol
- Monoisotopic mass
- 262.098809
Names & identifiers
- Preferred name
- 2-Isobutoxy-5-(trifluoromethyl)phenylboronic acid
- IUPAC
- [2-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]boronic acid
- English name
- 2-Isobutoxy-5-(trifluoromethyl)phenylboronic acid
- Molecular formula
- C11H14BF3O3
- Molecular weight
- 262.03
Names & synonyms
1256345-99-92-ISOBUTOXY-5-(TRIFLUOROMETHYL)PHENYLBORONIC ACID(2-Isobutoxy-5-(trifluoromethyl)phenyl)boronic acid[2-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]boronic acidMFCD16036116(2-Isobutoxy-5-(trifluoromethyl)-phenyl)boronic acidBoronic acid, B-[2-(2-methylpropoxy)-5-(trifluoromethyl)phenyl]-[2-isobutoxy-5-(trifluoromethyl)phenyl]boronic acid(2-Isobutoxy-5-(trifluoromethyl)phenyl)boronicacidDTXSID20681638YYWZYPLOMFBKDT-UHFFFAOYSA-NAKOS015837542
Show more names
BS-19731DB-365138CS-0174150H51160F228586
Database identifiers
- CAS
1256345-99-9- PubChem CID
- 53216396
- DTXSID
DTXSID20681638
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- storage temp.
- 2 · Sealed in dry,2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2931900090 · 2931900090
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
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
安徽合诺生物科技有限公司18455579438
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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