Boronic acid,[3-(hydroxymethyl)-2-thienyl]- (9CI) supplier

Name
3-HYDROXYMETHYLTHIOPHENE-2-BORONIC ACID
EINECS
CAS No. 222840-73-5
Article Data1
CAS DataBase
Density 1.426 g/cm³
Solubility
Melting Point
Formula C₅H₇BO₃S
Boiling Point 405.021 °C at 760 mmHg
Molecular Weight 157.986
Flash Point 198.75 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [3-(Hydroxymethyl)-2-thienyl]boronicacid;3-Hydroxymethylthiophene-2-boronic acid;
PSA 88.93000
LogP -1.07980

Boronic acid,[3-(hydroxymethyl)-2-thienyl]- (9CI) Specification

The Boronic acid,[3-(hydroxymethyl)-2-thienyl]- (9CI), with the CAS registry number 222840-73-5, is also known as 3-Hydroxymethylthiophene-2-boronic acid. This chemical's molecular formula is C₅H₇BO₃S and molecular weight is 157.9833. What's more, both its IUPAC name and systematic name are the same which is called [3-(Hydroxymethyl)thiophen-2-yl]boronic acid.

Physical properties about Boronic acid,[3-(hydroxymethyl)-2-thienyl]- (9CI) are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26; (8)ACD/KOC (pH 7.4): 24; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 88.93 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 37.59 cm³; (15)Molar Volume: 110.761 cm³; (16)Polarizability: 14.902×10^-24cm³; (17)Surface Tension: 62.861 dyne/cm; (18)Density: 1.426 g/cm³; (19)Flash Point: 198.75 °C; (20)Enthalpy of Vaporization: 69.232 kJ/mol; (21)Boiling Point: 405.021 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1ccsc1B(O)O
(2) InChI: InChI=1/C5H7BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-2,7-9H,3H2
(3) InChIKey: HUUVNOIORZPHNG-UHFFFAOYAR

Product Name

3-HYDROXYMETHYLTHIOPHENE-2-BORONIC ACID

Boronic acid,[3-(hydroxymethyl)-2-thienyl]- (9CI) Specification

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