CAS No.129271-98-3,1-(PHENYLSULFONYL)-1H-INDOL-3-YLBORONIC ACID Suppliers

Products Categories

Pharmaceutical (28)
Organic Chemicals (12)
Others (4)
Reagent (3)

Basic Information

Molecular Structure:
CAS No.:	129271-98-3
Name:	1-(PHENYLSULFONYL)-1H-INDOL-3-YLBORONIC ACID
Article Data:	1

Formula:	C₁₄H₁₂BNO₄S
Molecular Weight:	301.131
Synonyms:	Boronic acid, [1-(phenylsulfonyl)-1H-indol-3-yl]-(9CI);1-(Phenylsulfonyl)-indol-3-ylboronic acid;1-Benzenesulfonyl-1H-indol-3-ylboronic acid;1-Benzenesulfonyl-1H-indole-3-boronic acid;1-Phenylsulfonyl-1H-indole-3-boronic acid;[1-(Phenylsulfonyl)-1H-indol-3-yl]boronic acid;
Density:	1.35 g/cm³
Melting Point:	144 °C
Boiling Point:	581.384 °C at 760 mmHg
Flash Point:	305.41 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36-26
PSA:	87.91000
LogP:	1.63890

Total:43 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 129271-98-3

Specification

The IUPAC name of Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]- is [1-(benzenesulfonyl)indol-3-yl]boronic acid. With the CAS registry number 129271-98-3, it is also named as 1-(Phenylsulfonyl)-indol-3-ylboronic acid. The product's categories are Boronic Acids; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. In addition, its molecular formula is C₁₄H₁₂BNO₄S and molecular weight is 301.13.

The other characteristics of Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]- can be summarized as: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.505; (4)ACD/LogD (pH 7.4): 2.405; (5)ACD/BCF (pH 5.5): 47.183; (6)ACD/BCF (pH 7.4): 37.475; (7)ACD/KOC (pH 5.5): 548.66; (8)ACD/KOC (pH 7.4): 435.775; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 87.91 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 79.666 cm³; (15)Molar Volume: 223.089 cm³; (16)Polarizability: 31.582×10^-24cm³; (17)Surface Tension: 55.716 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 305.41 °C; (20)Melting Point: 144 °C; (21)Enthalpy of Vaporization: 91.451 kJ/mol; (22)Boiling Point: 581.384 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing. Moreover, please avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1cn(c2c1cccc2)S(=O)(=O)c3ccccc3)(O)O
(2)InChI: InChI=1/C14H12BNO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H
(3)InChIKey: YKTZLHLBQGCFQX-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H12BNO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H
(5)Std. InChIKey: YKTZLHLBQGCFQX-UHFFFAOYSA-N