Basic information
- CAS
947533-86-0- Standard SMILES
Cc1c(B(O)O)cccc1C(F)(F)F- InChIKey
GCYGREFYJFYOII-UHFFFAOYSA-N- Molecular formula
- C8H8BF3O2
- Average molar mass
- 203.96 g/mol
- Monoisotopic mass
- 204.0569441
Names & identifiers
- Preferred name
- 2-Methyl-3-(trifluoromethyl)phenylboronic acid
- IUPAC
- [2-methyl-3-(trifluoromethyl)phenyl]boronic acid
- English name
- 2-Methyl-3-trifluoromethyl-phenylboronic acid
- Molecular formula
- C8H8BF3O2
- Molecular weight
- 203.95
Names & synonyms
2-Methyl-3-(trifluoromethyl)phenylboronic acidRefChem:475359873-091-5947533-86-02-METHYL-3-TRIFLUOROMETHYL-PHENYLBORONIC ACID[2-methyl-3-(trifluoromethyl)phenyl]boronic acidMFCD110424302-Methyl-3-(trifluoromethyl)phenylboronicacid(2-Methyl-3-(trifluoromethyl)phenyl)boronic acid2-Methyl-3-trifluoromethylphenylboronic acidSCHEMBL28702822SCHEMBL31156210
Show more names
Boronic acid, B-[2-methyl-3-(trifluoromethyl)phenyl]-(2-Methyl-3-(trifluoromethyl)phenyl)boronic acid - [M88997]2-Methyl-3-trifluoromethyl-phenylboronic acid(contains varying amounts of Anhydride)
DTXSID60659371GCYGREFYJFYOII-UHFFFAOYSA-NAKOS015892928BS-24687SY362307DB-010471CS-0175781EN300-317161
Database identifiers
- CAS
947533-86-0- PubChem CID
- 44558151
- DTXSID
DTXSID60659371
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 282.6 · 282.6±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.63 · 7.63±0.58(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- 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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers26 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [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
杭州东帆化学有限公司86-0571-85151182
上海贤鼎生物科技有限公司4009209199 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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