(4-(Methoxycarbamoyl)phenyl)boronic acid
Basic information
- CAS
850568-17-1- Standard SMILES
CONC(=O)c1ccc(B(O)O)cc1- InChIKey
MZZWCLBDQROHHS-UHFFFAOYSA-N- Molecular formula
- C8H10BNO4
- Average molar mass
- 194.98 g/mol
- Monoisotopic mass
- 195.070288
Names & identifiers
- Preferred name
- (4-(Methoxycarbamoyl)phenyl)boronic acid
- IUPAC
- [4-(methoxycarbamoyl)phenyl]boronic acid
- English name
- 4-(O-Methylhydroxylaminocarbonyl)phenylboronic acid
- Molecular formula
- C8H10BNO4
- Molecular weight
- 194.98
Names & synonyms
850568-17-1(4-(Methoxycarbamoyl)phenyl)boronic acid[4-(methoxycarbamoyl)phenyl]boronic Acid4-(O-Methylhydroxylaminocarbonyl)phenylboronic acidMFCD04115670(4-(Methoxycarbamoyl)phenyl)boronicacidBS-24171CS-0176165H117244-(O-Methylhydroxylaminocarbonyl)benzeneboronic acidFT-0687759SCHEMBL531807
Show more names
(4-(Methoxycarbamoyl)4-(methoxycarbamoyl)phenylboronic acid4-(MethoxycarbaMoyl)benzeneboronic acid, 97%4-(Methyloxycarbamoyl)benzeneboronic acid, 97%(4-(Methoxycarbamoyl)phenyl)boronic acid - [M89647]Boronic acid, B-[4-[(methoxyamino)carbonyl]phenyl]-4-(O-Methylhydroxylaminocarbonyl)benzeneboronicacid97%
DTXSID70391952[4-(methoxycarbamoyl)phenyl]boronicAKOS006223643AB20363DA-023494-(METHOXYAMINOCARBONYL)PHENYLBORONIC ACIDF6925174-(O-METHYLHYDROAMINOCARBONYL)PHENYLBORONIC ACID
Database identifiers
- CAS
850568-17-1- PubChem CID
- 3379984
- DTXSID
DTXSID70391952- EC Number
- 691-945-3
Properties
Computed structural properties
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 130 · 130-136
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant/Keep Cold
- 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.
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)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2931900090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesB-[4-[(Methoxyamino)carbonyl]phenyl]boronic Acid is useful for the synthesis of alkylsulfanyl-1,2,4-triazoles, a new class of potent, allosteric valosine containing protein (VCP) inhibitors.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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