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Basic Information
CAS No.: 405520-68-5
Name: 4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID
Molecular Structure:
Molecular Structure of 405520-68-5 (4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID)
Formula: C9H12BNO3
Molecular Weight: 193.01
Synonyms: Boronicacid, [4-[(dimethylamino)carbonyl]phenyl]- (9CI);(4-(Dimethylaminocarbonyl)phenyl)boronic acid;4-Dimethylcarbamoylphenylboronicacid;[4-(N,N-Dimethylcarbamoyl)phenyl]boronic acid;
Density: 1.2 g/cm3
Melting Point: 130-136 °C
Boiling Point: 407.4 °C at 760 mmHg
Flash Point: 200.2 °C
Solubility: Slightly soluble in water.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 60.77000
LogP: -0.93180
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    4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID

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    405520-68-5

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Chemistry

IUPAC Name: [4-(dimethylcarbamoyl)phenyl]boronic acid 
Empirical Formula: C9H12BNO3
Molecular Weight: 193.0075g/mol
Structure of 4-( N,N -Dimethylcarbamoyl)phenylboronic acid (CAS NO.405520-68-5):

Index of Refraction: 1.553
Molar Refractivity: 51.17 cm3
Molar Volume: 159.8 cm3
Polarizability: 20.28×10-24cm3
Surface Tension: 48.3 dyne/cm
Density: 1.2 g/cm3
Flash Point: 200.2 °C
Enthalpy of Vaporization: 69.52 kJ/mol 
Melting Point: 130-136°C
Boiling Point: 407.4 °C at 760 mmHg
Vapour Pressure: 2.27E-07 mmHg at 25°C 
Product Categories: BORONICACID;blocks;BoronicAcids;Boronic acids;Boronic Acid;Aryl;Organoborons 
Canonical SMILES: B(C1=CC=C(C=C1)C(=O)N(C)C)(O)O
InChI: InChI=1S/C9H12BNO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3
InChIKey: QJYYVSIRDJVQJW-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant/Keep Cold 

Specification

  4-( N,N -Dimethylcarbamoyl)phenylboronic acid , its cas register number is 405520-68-5. It also can be called [4-(Dimethylcarbamoyl)phenyl]boronic acid ; Boronic acid, B-[4-[(dimethylamino)carbonyl]phenyl]- ; 4-(Dimethylaminocarbonyl)benzeneboronic acid 97% and so on. The storage environment of 4-( N,N -Dimethylcarbamoyl)phenylboronic acid (CAS NO.405520-68-5) should be cold.