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5-Indolylboronic acid

5-Indolylboronic acid structure

CAS No:
144104-59-6
Formula:
C8H8BNO2
Chemical Name:
5-Indolylboronic acid
Synonyms:
1H-INDOLE-5-BORONIC ACID;1H-INDOL-5-YLBORONIC ACID;5-INDOLYLBORONIC ACID;5-INDOLEBORONIC ACID;AKOS BRN-0120;INDOLE-5-BORONIC ACID;RARECHEM AH PB 0158;5-Indole Boric Acid
Categories:
Organic Chemistry > Coordination Complexes

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Description

White to light yellow crystal powde

5-Indolylboronic acid Basic Attributes

Molecular Weight：

160.97

Exact Mass：

161.064804

DSSTox ID：

DTXSID60370251

HScode：

29339900

Characteristics

PSA：

56.2

XLogP3：

-0.15230

Appearance：

White Crystalline Powder

Density：

1.33±0.1 g/cm3(Predicted)

Melting Point：

170-175 °C

Boiling Point：

433.2±37.0 °C(Predicted)

Flash Point：

215.8±26.5 °C

Refractive Index：

1.662

Storage Conditions：

0-6°C

Vapor Pressure：

2.83E-08mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, KEEP COLD

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-21/22

safety instructions：

26-36/37/39

Marks：

Xi,Xn

Hazard note：

Irritant/Keep Cold

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Indolylboronic acid Use and Manufacturing

Methods of Manufacturing

A dry and nitrogen-flushed three-necked flask, equipped with a magnetic stirrer and a septum, was charged with NaH (1.02 g, 42.5 mmol) in dry THF (80 mL). The 5-bromoindole (5.0 g, 25.5 mmol) was added dropwise to the solution under an N

Uses

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:160.97
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:161.0648087
Monoisotopic Mass:161.0648087
Topological Polar Surface Area:56.2
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 144104-59-6

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5-Indolylboronic Acid 144104-59-6

CAS No.: 144104-59-6

Grade: Pharmaceutical Grade

Content: 99%

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