4-Isopropylthiophenylboronic acid supplier

Name
4-ISOPROPYLTHIOPHENYLBORONIC ACID
EINECS
CAS No. 380427-38-3
Article Data1
CAS DataBase
Density 1.148 g/cm³
Solubility
Melting Point 82-88 °C
Formula C₉H₁₃BO₂S
Boiling Point 347.215 °C at 760 mmHg
Molecular Weight 196.078
Flash Point 163.79 °C
Transport Information
Appearance
Safety 26-36/37/39-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-[(1-methylethyl)thio]phenyl]- (9CI);(4-Isopropylthiophenyl)boronicacid;4-(Isopropylsulfanyl)benzeneboronic acid;4-Isopropylsulfanylphenylboronic acid;[4-[(1-Methylethyl)thio]phenyl]boronicacid;4-iso-Propylthiobenzeneboronic acid;
PSA 65.76000
LogP 0.86690

4-Isopropylthiophenylboronic acid Specification

This chemical is called Boronic acid, B-[4-[(1-methylethyl)thio]phenyl]-, and its CAS registry number is 380427-38-3. With the molecular formula of C₉H₁₃BO₂S, its molecular weight is 196.07. Additionally, its product categories are Blocks; Boronic Acids.

Other characteristics of the Boronic acid, B-[4-[(1-methylethyl)thio]phenyl]- can be summarised as followings: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 103.4; (6)ACD/BCF (pH 7.4): 94.18; (7)ACD/KOC (pH 5.5): 962.64; (8)ACD/KOC (pH 7.4): 876.79; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.76 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 55.16 cm³; (15)Molar Volume: 170.8 cm³; (16)Polarizability: 21.86×10^-24cm³; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 163.8 °C; (20)Enthalpy of Vaporization: 62.42 kJ/mol; (21)Boiling Point: 347.2 °C at 760 mmHg; (22)Vapour Pressure: 2.06E-05 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: S(c1ccc(cc1)B(O)O)C(C)C
2.InChI: InChI=1/C9H13BO2S/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7,11-12H,1-2H3
3.InChIKey: FYJDSWBEPMIWEC-UHFFFAOYAC

Product Name

4-ISOPROPYLTHIOPHENYLBORONIC ACID

4-Isopropylthiophenylboronic acid Specification

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