Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-2-yl]- supplier

Name
1-(PHENYLSULFONYL)-2-INDOLEBORONIC ACID
EINECS
CAS No. 342404-46-0
Density 1.34 g/cm³
Solubility
Melting Point 125-130 °C(lit.)
Formula C₁₄H₁₂BNO₄S
Boiling Point 581.4 °C at 760 mmHg
Molecular Weight 301.13
Flash Point 305.4 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [1-(phenylsulfonyl)-1H-indol-2-yl]- (9CI);[1-(Phenylsulfonyl)-1H-indol-2-yl]boronic acid;
PSA 87.91000
LogP 1.63890

Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-2-yl]- Specification

This chemical is called Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-2-yl]-, and its systematic name is [1-(phenylsulfonyl)-1H-indol-2-yl]boronic acid. With the molecular formula of C₁₄H₁₂BNO₄S, its molecular weight is 301.13. The CAS registry number of this chemical is 342404-46-0. Additionally, its product categories are Boronic Acids and Derivatives; Heteroaryl.

Other characteristics of the Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-2-yl]- can be summarised as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 128.58; (6)ACD/BCF (pH 7.4): 73.97; (7)ACD/KOC (pH 5.5): 1122.49; (8)ACD/KOC (pH 7.4): 645.8; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 65.91 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 79.66 cm³; (15)Molar Volume: 223 cm³; (16)Polarizability: 31.58×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 305.4 °C; (20)Enthalpy of Vaporization: 91.45 kJ/mol; (21)Boiling Point: 581.4 °C at 760 mmHg; (22)Vapour Pressure: 2.33E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccccc1)n3c2ccccc2cc3B(O)
2.InChI: InChI=1/C14H12BNO4S/c17-15(18)14-10-11-6-4-5-9-13(11)16(14)21(19,20)12-7-2-1-3-8-12/h1-10,17-18H
3.InChIKey: HXWLCYMHOULBJZ-UHFFFAOYAJ

Product Name

1-(PHENYLSULFONYL)-2-INDOLEBORONIC ACID

Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-2-yl]- Specification

Related Products

Hot Products