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121177-82-0

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Basic Information
CAS No.: 121177-82-0
Name: 4-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID
Molecular Structure:
Molecular Structure of 121177-82-0 (4-(N-METHYLAMINOCARBONYL)PHENYLBORONIC ACID)
Formula: C8H10BNO3
Molecular Weight: 178.98
Synonyms: 4-(Methylaminocarbonyl)phenylboronicacid;[4-(Methylcarbamoyl)phenyl]boronic acid;[4-(N-Methylaminocarbonyl)phenyl]boronic acid;Boronicacid, [4-[(methylamino)carbonyl]phenyl]- (9CI);(4-(N-Methylcarbamoyl)phenyl)boronic acid;
Density: 1.238 g/cm3
Melting Point: 200-220 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 69.56000
LogP: -0.88310
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Chemistry


IUPAC Name: [4-(Methylcarbamoyl)phenyl]boronic acid 
Empirical Formula: C8H10BNO3
Molecular Weight: 178.9809
Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NC)(O)O
InChI: InChI=1S/C8H10BNO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChIKey: UWKSYZHFTGONHY-UHFFFAOYSA-N
H-Bond Donor: 3
H-Bond Acceptor: 3 
Index of Refraction: 1.553
Molar Refractivity: 46.31 cm3
Molar Volume: 144.6 cm3
Surface Tension: 49.4 dyne/cm
Density: 1.23 g/cm3 
Product Categories: blocks; BoronicAcids; Boronic acids; Aryl; Organoborons
Melting Point of 4-(N-Methylaminocarbonyl)phenylboronic acid (CAS NO.121177-82-0): 200-220 °C

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 of 4-(N-Methylaminocarbonyl)phenylboronic acid (CAS NO.121177-82-0): Irritant

Specification

  4-(N-Methylaminocarbonyl)phenylboronic acid (CAS NO.121177-82-0), its Synonyms are [4-(Methylcarbamoyl)phenyl]boronic acid ; Boronic acid, B-[4-[(methylamino)carbonyl]phenyl]- ; 4-(Methylcarbamoyl)benzeneboronic acid .