[4-(Methylsulfinyl)phenyl]boronic acid supplier

Name
4-(METHANESULFINYL)BENZENEBORONIC ACID
EINECS
CAS No. 166386-48-7
Article Data4
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point 178-180°C
Formula C₇H₉BO₃S
Boiling Point 416.8 °C at 760 mmHg
Molecular Weight 184.024
Flash Point 205.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Boronicacid, [4-(methylsulfinyl)phenyl]- (9CI);4-(Methylsulfinyl)benzeneboronic acid;4-Methylsulfinylphenylboronic acid;
PSA 76.74000
LogP -0.03050

[4-(Methylsulfinyl)phenyl]boronic acid Specification

This chemical is called 4-(Methylsulfinyl)phenyl]boronic acid, and its CAS registry number is 166386-48-7. With the molecular formula of C₇H₉BO₃S, its product category is Boronic acids. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the [4-(Methylsulfinyl)phenyl]boronic acid can be summarised as followings: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.45; (8)ACD/KOC (pH 7.4): 14.59; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.74 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 46.78 cm³; (15)Molar Volume: 133.8 cm³; (16)Polarizability: 18.54×10^-24cm³; (17)Surface Tension: 67 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 205.9 °C; (20)Enthalpy of Vaporization: 70.65 kJ/mol; (21)Boiling Point: 416.8 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(c1ccc(B(O)O)cc1)C
2.InChI: InChI=1/C7H9BO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
3.InChIKey: YOTGALZTDVXUKZ-UHFFFAOYAX

Product Name

4-(METHANESULFINYL)BENZENEBORONIC ACID

[4-(Methylsulfinyl)phenyl]boronic acid Specification

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