4-(Methoxymethylthio)phenylboronic acid supplier

Name
4-(Methoxymethylthio)phenylboronic acid
EINECS
CAS No. 1072952-17-0
Article Data2
CAS DataBase
Density 1.237 g/cm³
Solubility
Melting Point
Formula C₈H₁₁BO₃S
Boiling Point 341.55 °C at 760 mmHg
Molecular Weight 198.051
Flash Point 160.364 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(METHOXYMETHYLTHIO)PHENYLBORONIC ACID;Boronic acid, B-[4-[(methoxymethyl)thio]phenyl]-
PSA 74.99000
LogP 0.06240

4-(Methoxymethylthio)phenylboronic acid Specification

The CAS registry number of 4-(Methoxymethylthio)phenylboronic acid is 1072952-17-0. It belongs to the product categories of API Intermediates; Boronic Acid. This chemical's molecular formula is C₈H₁₁BO₃S and molecular weight is 198.05. What's more, its IUPAC name and systematic name are the same which is called [4-(Methoxymethylsulfanyl)phenyl]boronic acid.

Physical properties about 4-(Methoxymethylthio)phenylboronic acid: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.137; (4)ACD/LogD (pH 7.4): 1.101; (5)ACD/BCF (pH 5.5): 4.302; (6)ACD/BCF (pH 7.4): 3.959; (7)ACD/KOC (pH 5.5): 98.874; (8)ACD/KOC (pH 7.4): 90.994; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.99 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 52.3 cm³; (15)Molar Volume: 160.104 cm³; (16)Surface Tension: 48.638 dyne/cm; (17)Density: 1.237 g/cm³; (18)Flash Point: 160.364 °C; (19)Enthalpy of Vaporization: 61.764 kJ/mol; (20)Boiling Point: 341.55 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)SCOC)(O)O
(2) InChI: InChI=1/C8H11BO3S/c1-12-6-13-8-4-2-7(3-5-8)9(10)11/h2-5,10-11H,6H2,1H3
(3) InChIKey: VWZLCFRKACUMDI-UHFFFAOYAT

Product Name

4-(Methoxymethylthio)phenylboronic acid

4-(Methoxymethylthio)phenylboronic acid Specification

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