Basic information
- CAS
109737-57-7- Standard SMILES
CN1CC(=O)OB(c2ccccc2)OC(=O)C1- InChIKey
AISHCGVNWMRLOM-UHFFFAOYSA-N- Molecular formula
- C11H12BNO4
- Average molar mass
- 233.03 g/mol
- Monoisotopic mass
- 233.085938
Names & identifiers
- Preferred name
- 6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
- IUPAC
- 6-methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
- English name
- 6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
- Molecular formula
- C11H12BNO4
- Molecular weight
- 233.02828
Names & synonyms
6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione109737-57-7DTXSID50544762RefChem:308965DTXCID904955472-Phenyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dionePhenylboronic acid MIDA esterMFCD112152504H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, dihydro-6-methyl-2-phenyl-SCHEMBL15669689Phenylboronic acid MIDA ester, 95%AKOS016012093
Show more names
Phenylboronic acid MIDA ester 95%Benzeneboronic acid methyliminodiacetic acid ester4-Methyl-8-phenyldihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione
AMY17938AS-2537DB-263944CS-0329651F571442F980289(T-4)-[N-[(Carboxy-kappaO)methyl]-N-methylglycinato(2-)-kappaN,kappaO](4-hydroxyphenyl)boron
Database identifiers
- CAS
109737-57-7- PubChem CID
- 13600893
- DTXSID
DTXSID50544762
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Melting point
- 166 · 166-170 °C
- form
- powder
- InChI
- 1S/C11H12BNO4/c1-13-7-10(14)16-12(17-11(15)8-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
- InChIKey
- AISHCGVNWMRLOM-UHFFFAOYSA-N
- SMILES
- CN1CC(=O)OB(OC(=O)C1)c2ccccc2
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Applications
UsesSuzuki Cross-Coupling with MIDA Boronates
Suppliers32 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海冷泉生物科技有限公司13918064236 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
郑州阿尔法化工有限公司0371-53732842 15981811963 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
无锡莫拉化工产品有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
Related reactions
1 records
Compound notes
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