Basic information
- CAS
870778-97-5- Standard SMILES
OB(O)c1ccc(COc2ccc(OC(F)(F)F)cc2)cc1- InChIKey
BAJVPURXOFJFRW-UHFFFAOYSA-N- Molecular formula
- C14H12BF3O4
- Average molar mass
- 312.05 g/mol
- Monoisotopic mass
- 312.0780735
Names & identifiers
- Preferred name
- 4-(4'-(Trifluoromethoxy)phenoxymethyl)phenylboronic acid
- IUPAC
- [4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]boronic acid
- English name
- 4-(4'-(Trifluoromethoxy)phenoxymethyl)p&
- Molecular formula
- C14H12BF3O4
- Molecular weight
- 312.05
Names & synonyms
4-[4'-(Trifluoromethoxy)phenoxymethyl]phenylboronic acid4-(4'-(Trifluoromethoxy)phenoxymethyl)phenylboronic acidRefChem:513421102-978-5870778-97-5(4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronic acidMFCD08276770[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]boronic acid(4-{[4-(Trifluoromethoxy)phenoxy]methyl}phenyl)boronic acidSCHEMBL9893608DTXSID50584643BAJVPURXOFJFRW-UHFFFAOYSA-N
Show more names
Boronic acid, B-[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-4-[4′-(Trifluoromethoxy)phenoxymethyl]phenylboronic acid, CAS 870778-97-5
AKOS015893185BP-12115BS-24127CS-0175152F87526F6963764'-(TrifluoroMethoxy)phenoxyMethylphenylboronic acid(4-((4-(Trifluoromethoxy)phenoxy)methyl)phenyl)boronicacid
Database identifiers
- CAS
870778-97-5
Properties
Computed structural properties
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 415.5 · 415.5±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.5 · 8.50±0.16(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- 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.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers21 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
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]
武汉凯威斯科技有限公司027-67849912 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
上海弘敏医药科技有限公司13651987816 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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