2-Formylthiophene-4-boronic acid supplier

Name
2-Formylthiophene-4-boronic acid
EINECS
CAS No. 175592-59-3
Article Data3
CAS DataBase
Density 1.412 g/cm³
Solubility Slightly soluble in water.
Melting Point 270-272 °C
Formula C₅H₅BO₃S
Boiling Point 395.084 °C at 760 mmHg
Molecular Weight 155.97
Flash Point 192.74 °C
Transport Information
Appearance
Safety 36/37
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (5-formyl-3-thienyl)- (9CI);(2-Formylthien-4-yl)boronic acid;5-Formyl-3-thienylboronic acid;5-Formyl-3-thiopheneboronic acid;
PSA 85.77000
LogP -0.75960

2-Formylthiophene-4-boronic acid Specification

The 2-Formylthiophene-4-boronic acid with cas registry number of 175592-59-3, belongs to the following product categories: (1)ALDEHYDE; (2)Aldehydes; (3)Azoles; (4)blocks; (5)BoronicAcids; (6)Organoborons; (7)Thiophene. It has the systematic name of (5-formylthiophen-3-yl)boronic acid. And it is also called Boronicacid, (5-formyl-3-thienyl)- (9CI).

Physical properties about this chemical are: (1)ACD/LogP: 0.08; (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): 39; (8)ACD/KOC (pH 7.4): 23; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 85.77 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 36.399 cm³; (15)Molar Volume: 110.453 cm³; (16)Polarizability: 14.43×10^-24cm³; (17)Surface Tension: 57.201 dyne/cm; (18)Enthalpy of Vaporization: 68.045 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(cs1)B(O)O;
(2)InChI: InChI=1/C5H5BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H;
(3)InChIKey: ZCUFJAORCNFWOF-UHFFFAOYAY;
(4)Std. InChI: InChI=1S/C5H5BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3,8-9H;
(5)Std. InChIKey: ZCUFJAORCNFWOF-UHFFFAOYSA-N

Product Name

2-Formylthiophene-4-boronic acid

2-Formylthiophene-4-boronic acid Specification

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