CAS Number99768-12-4
SynonymsBenzoic acid, 4-borono-, methyl ester; [4-(Methoxycarbonyl)phenyl]boronic acid; MFCD01632203; Methyl 4-boronobenzoate; (4-methoxycarbonylphenyl)boronic acid
Molecular FormulaC8H9BO4
Molecular Weight179.97
Purity≥95%
Density1.3±0.1 g/cm3
Boiling Point345.8±44.0 °C at 760 mmHg
Melting Point197-200 °C (lit.)
Appearancepowder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 99768-12-4 |
| Catalog No. | 2A-9049665 |
| Chinese Name | 4-甲酯基苯硼酸 |
| Synonyms | Benzoic acid, 4-borono-, methyl ester; [4-(Methoxycarbonyl)phenyl]boronic acid; MFCD01632203; Methyl 4-boronobenzoate; (4-methoxycarbonylphenyl)boronic acid |
| Molecular Formula | C8H9BO4 |
| Molecular Weight | 179.97 |
| Purity | ≥95 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 345.8±44.0 °C at 760 mmHg |
| Melting Point | 197-200 °C (lit.) |
| Appearance | powder |
| Water Solubility | Water solubility: insoluble; soluble in: methanol |
| Storage Condition | Store airtight in a cool, dry warehouse. Keep away |
| Application | 4-Methoxycarbonylphenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science-related research. |
| HTC | 2931900090 |
| PubChem ID | 24881520 |
| MDL Number | MFCD01632203 |
| SMILES | COC(=O)c1ccc(cc1)B(O)O |
| InChI | 1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3 |
| InChI Key | PQCXFUXRTRESBD-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352103 |
| Hazard Symbols | transportation |
| MSDS | msds/49665_1_99768_12_4.pdf |
| Bioactivity | 4-Methoxycarbonylbenzeneboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research. Related Catalog Research Areas >> Others In Vitro It is a reagent for tandem Pd(II)-catalyzed oxidation Heck reactions and intramolecular CH Amidation sequence, copper-mediated ligand-free aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides, one-pot nitration of arylboronic acids, copper-catalyzed nitration and cyclic condensation, followed by palladium-phosphine-catalyzed Suzuki-Miyaura coupling. Used as Reagent used in Reagent used in preparing biaryls via nickel-catalized Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acid, Chromones and their bradykinin B1 antagonistic activity, Pt nanoparticles on Photoactive metal-organic frameworks resulting efficient hydrogen via synergistic photoexcitation and electron injection and the evolution of salicylate-based thienylbenzoic acid as an inhibitor of Escherichia coli methionine aminopeptidase. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 345.8±44.0 °C at 760 mmHg Melting Point 197-200 °C(lit.) Molecular Formula C8H9BO4 Molecular Weight 179.97 Flash Point 162.9±28.4 °C Exact Mass 180.059387 PSA 66.76000 LogP 1.57 Vapor Pressure 0.0±0.8 mmHg at 25°C Index of Refraction 1.533 InChIKey PQCXFUXRTRESBD-UHFFFAOYSA-N SMILES COC(=O)c1ccc(B(O)O)cc1 Storage condition 0-6°C |
| Use of | Related Catalog Research Areas >> Others In Vitro It is a reagent for tandem Pd(II)-catalyzed oxidative Heck reactions and intramolecular CH amidation sequences, copper-mediated ligand-free aerobic fluoroalkylation of arylboronic acids with fluoroalkyl iodides, one-pot nitration of arylboronic acids, copper-catalyzed nitration and cyclocondensation followed by palladium-phosphine-catalyzed Suzuki-Miyaura coupling. Used as Reagent used in Reagent used in preparing biaryls via nickel-catalized Suzuki-Miyaura cross-coupling reaction of aryl halides with arylboronic acid, Chromones and their bradykinin B1 antagonistic activity, Pt nanoparticles on Photoactive metal-organic frameworks resulting efficient hydrogen via synergistic photoexcitation and electron injection and the evolution of salicylate-based thienylbenzoic acid as an inhibitor of Escherichia coli methionine aminopeptidase. Chemical & Physical Properties Molecular Formula C8H9BO4 Exact Mass 180.059387 PSA 66.76000 Index of Refraction 1.533 InChIKey PQCXFUXRTRESBD-UHFFFAOYSA-N |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip. |
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