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190788-59-1

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Basic Information
CAS No.: 190788-59-1
Name: 2-Nitrobenzeneboronic acid pinacol ester
Article Data: 20
Molecular Structure:
Molecular Structure of 190788-59-1 (2-Nitrobenzeneboronic acid pinacol ester)
Formula: C12H16BNO4
Molecular Weight: 249.074
Synonyms: 2-(2-Nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
Density: 1.14 g/cm3
Melting Point: 42-44°C
Boiling Point: 358.2 °C at 760 mmHg
Flash Point: 170.4 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety: 26-36
PSA: 86.28000
LogP: -0.20220
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Chemistry

Product Name: 2-Nitrobenzeneboronic acid pinacol ester (CAS NO.190788-59-1)


Molecular Formula: C12H18BNO5
Molecular Weight: 267.09g/mol
Mol File: 190788-59-1.mol
Melting Point: 42-44°C
Boiling point: 358.2 °C at 760 mmHg
Flash Point: 170.4 °C
Density: 1.14 g/cm3
Surface Tension: 38.1 dyne/cm
Enthalpy of Vaporization: 57.98 kJ/mol
Vapour Pressure: 5.36E-05 mmHg at 25°C
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of 2-Nitrobenzeneboronic acid pinacol ester (CAS NO.190788-59-1):
  IUPAC Name: 4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane
  Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2[N+](=O)[O-]
  InChI: InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-7-5-6-8-10(9)14(15)16/h5-8H,1-4H3 
  InChIKey: VLJYUDGCEKORNG-UHFFFAOYSA-N
Product Categories: blocks; BoronicAcids; NitroCompounds

Safety Profile

Safety Information of 2-Nitrobenzeneboronic acid pinacol ester (CAS NO.190788-59-1):
Risk Statements: 36/37/38 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin  
Safety Statements: 26-36
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing

Specification

 2-Nitrobenzeneboronic acid pinacol ester , its CAS NO. is 190788-59-1, the synonyms are MolPort-001-794-681 ; BM162 ; CID3699568 ; 4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane .