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CAS No.: | 133057-83-7 |
---|---|
Name: | 4-(Benzyloxy)-3-fluorophenylboronic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H12 B F O3 |
Molecular Weight: | 246.046 |
Synonyms: | Boronicacid, [3-fluoro-4-(phenylmethoxy)phenyl]- (9CI);(3-Fluoro-4-benzyloxyphenyl)boronic acid; 4-Benzyloxy-3-fluorobenzeneboronicacid; 4-Benzyloxy-3-fluorophenylboronic acid |
Density: | 1.26g/cm3 |
Melting Point: | 116-117 ºC |
Boiling Point: | 428°Cat760mmHg |
Flash Point: | 212.6°C |
Appearance: | white to light yellow crystal powde |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
PSA: | 49.69000 |
LogP: | 1.08450 |
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IUPAC Name: (3-Fluoro-4-phenylmethoxyphenyl)boronic acid
Empirical Formula: C13H12BFO3
Molecular Weight: 246.042
Canonical SMILES: B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)F)(O)O
InChI: InChI=1S/C13H12BFO3/c15-12-8-11(14(16)17)6-7-13(12)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChIKey: DQPDLDQJMUGVGI-UHFFFAOYSA-N
H-Bond Donor: 2
H-Bond Acceptor: 4
Index of Refraction: 1.577
Molar Refractivity: 64.47 cm3
Molar Volume: 194.3 cm3
Surface Tension: 47.9 dyne/cm
Density: 1.26 g/cm3
Flash Point: 212.6 °C
Enthalpy of Vaporization: 72 kJ/mol
Boiling Point: 428 °C at 760 mmHg
Vapour Pressure: 4.37E-08 mmHg at 25 °C
Product Categories: blocks; BoronicAcids; FluoroCompounds; Aryl; Fluorinated; Organoborons; Boronic acid
Melting Point of 4-(Benzyloxy)-3-fluorophenylboronic acid (CAS NO.133057-83-7): 116 °C
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39-36
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.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
Hazard Note: Irritant
HazardClass of 4-(Benzyloxy)-3-fluorophenylboronic acid (CAS NO.133057-83-7): IRRITANT
4-(Benzyloxy)-3-fluorophenylboronic acid (CAS NO.133057-83-7), its Synonyms are Boronic acid, B-[3-fluoro-4-(phenylmethoxy)phenyl]- ; (3-Fluoro-4-benzyloxyphenyl)boronic acid ; 3-Fluoro-4-((phenylmethyl)oxy)phenylboronic acid ; 4-Benzyloxy-3-fluorobenzeneboronic acid ; 4-Benzyloxy-3-fluorobenzeneboronic acid 97% . It is white to light yellow crystal powder.