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CAS No.: | 98546-51-1 |
---|---|
Name: | 4-(Methylthio)phenylboronic acid |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H9BO2S |
Molecular Weight: | 168.024 |
Synonyms: | 4-Methylthiopenylboronic Acid;4-Methylthiophenylboronic acid;4-(Methylthio)benzeneboronic acid;4-(Methylthio)benzene boronic acid; |
Density: | 1.22 g/cm3 |
Melting Point: | 210-214 °C(lit.) |
Boiling Point: | 333.5 °C at 760 mmHg |
Flash Point: | 155.5 °C |
Appearance: | Off-white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26-36-7/9 |
PSA: | 65.76000 |
LogP: | 0.08830 |
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IUPAC Name: (4-methylsulfanylphenyl)boronic acid
Empirical Formula: C7H9BO2S
Molecular Weight: 168.0212
Structure of 4-(Methylthio)phenylboronic acid (CAS NO.98546-51-1):
Index of Refraction: 1.583
Molar Refractivity: 45.92 cm3
Molar Volume: 137.3 cm3
Polarizability: 18.2×10-24cm3
Surface Tension: 48.5 dyne/cm
Density: 1.22 g/cm3
Flash Point: 155.5 °C
Enthalpy of Vaporization: 60.83 kJ/mol
Melting Point: 210-214 °C(lit.)
Boiling Point: 333.5 °C at 760 mmHg
Vapour Pressure: 5.41E-05 mmHg at 25°C
Product Categories: Azoles;blocks;BoronicAcids;Boric Acid;Boronic acids;Boronic Acid;Aryl;Organoborons;B (Classes of Boron Compounds)
Physical Appearance: Off-white crystalline powder
Synonyms of 4-(Methylthio)phenylboronic acid (CAS NO.98546-51-1): [4-(Methylsulfanyl)phenyl]boronic acid ; Boronic acid, B-[4-(methylthio)phenyl]- ; [4-(Methylsulfanyl)Phenyl]Boranediol ; 4-Thioanisoleboronic acid
Canonical SMILES: B(C1=CC=C(C=C1)SC)(O)O
InChI: InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChIKey: IVUHTLFKBDDICS-UHFFFAOYSA-N
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26-36-7/9
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT