CAS No.380427-38-3,4-ISOPROPYLTHIOPHENYLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	380427-38-3
Name:	4-ISOPROPYLTHIOPHENYLBORONIC ACID
Article Data:	1

Formula:	C₉H₁₃BO₂S
Molecular Weight:	196.078
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;
Density:	1.148 g/cm³
Melting Point:	82-88 °C
Boiling Point:	347.215 °C at 760 mmHg
Flash Point:	163.79 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39-36
PSA:	65.76000
LogP:	0.86690

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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