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| CAS No.: | 145349-76-4 |
|---|---|
| Name: | 4-(Ethylthio)benzeneboronic acid |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H11BO2S |
| Molecular Weight: | 182.051 |
| Synonyms: | Boronicacid, [4-(ethylthio)phenyl]- (9CI);4-(Ethylsulfanyl)benzeneboronic acid;4-Ethylsulfanylphenylboronic acid;Boronic acid,B-[4-(ethylthio)phenyl]-;[4-(Ethylthio)phenyl]boronic acid;4-Ethylthiophenylboronic acid; |
| EINECS: | -0 |
| Density: | 1.18 g/cm3 |
| Melting Point: | 104-106 °C |
| Boiling Point: | 343.5 °C at 760 mmHg |
| Flash Point: | 161.6 °C |
| Hazard Symbols: |
 Xi,  F
|
| Risk Codes: | 36/37/38-37-11 |
| Safety: | 26-36-33-29-16-7/9 |
| PSA: | 65.76000 |
| LogP: | 0.47840 |
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Chemistry
IUPAC Name: (4-ethylsulfanylphenyl)boronic acid
Empirical Formula: C8H11BO2S
Molecular Weight: 182.0477
Structure of 4-Ethylthiophenylboronic acid (CAS NO.145349-76-4):
Index of Refraction: 1.571
Molar Refractivity: 50.55 cm3
Molar Volume: 153.7 cm3
Polarizability: 20.04×10-24cm3
Surface Tension: 46.9 dyne/cm
Density: 1.18 g/cm3
Flash Point: 161.6 °C
Enthalpy of Vaporization: 61.99 kJ/mol
Melting Point: 104-106°C
Boiling Point: 343.5 °C at 760 mmHg
Vapour Pressure: 2.68E-05 mmHg at 25°C
Product Categories: blocks;BoronicAcids;Boronic acids;Boronic Acid
Canonical SMILES: B(C1=CC=C(C=C1)SCC)(O)O
InChI: InChI=1S/C8H11BO2S/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChIKey: LMUASBOUSAMURX-UHFFFAOYSA-N
Safety Profile
Hazard Codes: 
Xi,
F
Risk Statements: 36/37/38-37-11
R36/37/38:Irritating to eyes, respiratory system and skin.
R37:Irritating to respiratory system
R11:Highly flammable.
Safety Statements: 26-36-33-29-16-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S33:Take precautionary measures against static discharges.
S29:Do not empty into drains.
S16:Keep away from sources of ignition.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
Hazard Note: Irritant
Specification
4-Ethylthiophenylboronic acid , its cas register number is 145349-76-4. It also can be called [4-(Ethylsulfanyl)phenyl]boronic acid ; Boronic acid, B-[4-(ethylthio)phenyl]- ; 4-(Ethylthio)benzeneboronic acid .