Basic information
- CAS
653589-95-8- Standard SMILES
COC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1- InChIKey
GWSGJWIUSIAFOP-UHFFFAOYSA-N- Molecular formula
- C14H19BO4
- Average molar mass
- 262.11 g/mol
- Monoisotopic mass
- 262.13763949
Names & identifiers
- Preferred name
- Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- IUPAC
- methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- English name
- METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
- Molecular formula
- C14H19BO4
- Molecular weight
- 262.11
Names & synonyms
653589-95-8Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateDTXSID30375011RefChem:353836DTXCID10326041675-007-02-Methoxycarbonylphenylboronic acid pinacol esterMFCD056638662-methoxycarbonylphenylboronic acid, pinacol ester2-(methoxycarbonyl)benzeneboronic acid pinacol esterAKOS015852330CS-W000957
Show more names
Methyl 2-(4Methyl 2-((4,42-(Methoxycarbonyl)benzeneboronic acid, pinacol esterN-Methyltetrahydrothiophene-3-amine-1,1-dioxidehydrochloridemethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoa...3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate2-(2-Methoxycarbonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneMethyl 2-((4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)Methyl)benzoate
SY003284M32332-Methoxycarbonylphenylboronic acid, pinacol ester, AldrichCPR2-(methoxycarbAM804198SCHEMBL9986523methyl 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateGWSGJWIUSIAFOP-UHFFFAOYSA-N
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Melting point
- 49 · 49-51°C
- Boiling point
- 363.7 · 363.7±25.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- InChI
- 1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H,1-5H3
- InChIKey
- GWSGJWIUSIAFOP-UHFFFAOYSA-N
- SMILES
- B2(OC(C(O2)(C)C)(C)C)c1c(cccc1)C(=O)OC
- CAS DataBase Reference
- 653589 · 653589-95-8(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H312+H332 (96.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers96 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Related reactions
5 records
Compound notes
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