(3-(tert-Butylcarbamoyl)phenyl)boronic acid
Basic information
- CAS
183158-30-7- Standard SMILES
CC(C)(C)NC(=O)c1cccc(B(O)O)c1- InChIKey
MAFLCTFKZXDGGQ-UHFFFAOYSA-N- Molecular formula
- C11H16BNO3
- Average molar mass
- 221.06 g/mol
- Monoisotopic mass
- 221.1223235
Names & identifiers
- Preferred name
- (3-(tert-Butylcarbamoyl)phenyl)boronic acid
- IUPAC
- [3-(tert-butylcarbamoyl)phenyl]boronic acid
- English name
- 3-(tert-Butylaminocarbonyl)phenylboronic acid
- Molecular formula
- C11H16BNO3
- Molecular weight
- 221.06
Names & synonyms
183158-30-7(3-(tert-Butylcarbamoyl)phenyl)boronic acid3-(t-Butylaminocarbonyl)phenylboronic acid3-(TERT-BUTYLAMINOCARBONYL)PHENYLBORONIC ACID[3-(tert-butylcarbamoyl)phenyl]boronic Acid3-(tert-butylcarbamoyl)phenylboronic acidMFCD04115693Boronic acid, B-[3-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-3-[(tert-Butyl)carbamoyl]benzeneboronic acid(3-(tert-Butylcarbamoyl)phenyl)boronicacidSCHEMBL520859DTXSID50393994
Show more names
3-(TERT-BUTYLAMINOCARBONYL)BENZENEBORONIC ACID3-(tert-ButylcarbaMoyl)benzeneboronic acid, 97%3-(tert-Butylaminocarbonyl)benzeneboronic acid 97%(3-(Tert-butylcarbamoyl)phenyl)boronic acid - [B89238]3-Borono-N-(tert-butyl)benzamide, 3-{[(tert-Butyl)amino]carbonyl}benzeneboronic acid
AKOS015838070AB20415PS-9563DA-09005CS-0175415D71314F318023
Database identifiers
- CAS
183158-30-7- PubChem CID
- 3596342
- DTXSID
DTXSID50393994
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 120 · 120-126°C
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 7.87 · 7.87±0.10(Predicted)
- 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
- Risk Statements
- 36 · 36/37/38-41
- Safety Statements
- 26 · 26-36/37/39-39
- 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.
Safety data
- hs_code
- 2931900090
- risk_code
- 36/37/38-41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- safety_code
- 26-36/37/39-39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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Related reactions
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Compound notes
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