Basic information
- CAS
1116681-98-1- Standard SMILES
CC1(C)OB(c2ccc(Cl)c(F)c2F)OC1(C)C- InChIKey
KERWHSMECDFMFY-UHFFFAOYSA-N- Molecular formula
- C12H14BClF2O2
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 274.07434421
Names & identifiers
- Preferred name
- 2-(4-Chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 2-(4-chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- English name
- 4-Chloro-2,3-difluorophenylboronic acid, pinacol ester
- Molecular formula
- C12H14BClF2O2
- Molecular weight
- 274.5
Names & synonyms
1116681-98-12-(4-CHLORO-2,3-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE4-Chloro-2,3-difluorophenylboronic acid, pinacol ester4-Chloro-2,3-difluorophenylboronic acid pinacol esterMFCD16659094SCHEMBL1477534SCHEMBL31183208KERWHSMECDFMFY-UHFFFAOYSA-NDTXSID5011518092-(4-Chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneAKOS025293567BS-26265
Show more names
CS-0174743N12358EN300-1706496F6963341,3,2-Dioxaborolane, 2-(4-chloro-2,3-difluorophenyl)-4,4,5,5-tetramethyl-2-(4-chloro-2,3-difluoro-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Database identifiers
- CAS
1116681-98-1- PubChem CID
- 56973256
- DTXSID
DTXSID501151809
Properties
Computed structural properties
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Chloro-2,3-difluorophenylboronic acid, pinacol ester
Suppliers20 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
南京代盟化工有限公司025-66800956 18800000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
米诺化工有限公司0086-15313090952
范德(北京)生物科技有限责任公司15911056312 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Related reactions
23 records
Compound notes
Loading…