Basic information
- CAS
454185-98-9- Standard SMILES
COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
NBPODFADVLNXKO-UHFFFAOYSA-N- Molecular formula
- C15H21BO4
- Average molar mass
- 276.14 g/mol
- Monoisotopic mass
- 276.15328955
Names & identifiers
- Preferred name
- Methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
- IUPAC
- methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
- English name
- (4-METHOXYCARBONYLMETHYLPHENYL)BORONIC ACID PINACOL ESTER
- Molecular formula
- C15H21BO4
- Molecular weight
- 276.14
Names & synonyms
METHYL 2-[4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ACETATEmethyl 2-(4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateRefChem:813446855-049-8454185-98-9Methyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetateMethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate(4-Methoxycarbonylmethyl)phenylboronic acid pinacol esterMFCD09997797(4-Methoxycarbonylmethylphenyl)boronic acid pinacol ester4-(Methoxycarbonylmethyl)phenylboronic Acid Pinacol EsterAB7371
Show more names
methyl 2-[4-(tetramethyl-1,3,2-dioxaborolan-(4-Methoxycarbonylmethylphenyl)boronic acid picol esterMethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[4-(Methoxycarbonyl)methyl]benzeneboronicacidpinacolester(4-Methoxycarbonylmethyl)Phenylboronic Acid Pinacol Ester,>98%(4-Methoxycarbonylmethylphenyl) boronic acid pinacol ester - [M12474]
AS-2758SY025367EN300-175258Methyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetatemethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetatemethyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetateSCHEMBL481948DTXSID90459189
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 41 · 41-45 °C
- Boiling point
- 363 · 363.0±25.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Orange to Green
- CAS DataBase Reference
- 454185 · 454185-98-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 260 · P260-P280
- HS Code
- 2931900090 · 2931900090
Safety & regulation
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P280
Chemistry & industry
Applications
Uses(4-Methoxycarbonylmethyl)phenylboronic acid pinacol ester
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers82 total
上海康恩博医药科技有限公司17510465506 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
17 records
Compound notes
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