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Home > Encyclopedia > 4-Isoquinolineboronic acid

4-Isoquinolineboronic acid

4-Isoquinolineboronic acid structure

4-Isoquinolineboronic acid 

structure
  • CAS No:

    192182-56-2

  • Formula:

    C9H8BNO2

  • Chemical Name:

    4-Isoquinolineboronic acid

  • Synonyms:

    CHEMBRDG-BB 4002849;ISOQUINOLIN-5-YLBORONIC ACID;ISOQUINOLIN-4-YLBORONIC ACID;ISOQUINOLINE-4-BORONIC ACID;4-ISOQUINOLINEBORONIC ACID;4-ISOQUINOLINYLBORONI ACID;AKOS BRN-0121;AKOS BRN-0458

  • Categories:

    Organic Chemistry  >  Coordination Complexes

Description

Pink solid

4-Isoquinolineboronic acid Basic Attributes

172.98

173.064804

-0

DTXSID60396057

29349990

Characteristics

53.35000

1.33

1.28±0.1 g/cm3(Predicted)

178°C

419.1±37.0 °C(Predicted)

207.3±26.5 °C

1.645

2-8°C

Safety Information

IRRITANT

NONH for all modes of transport

36/37/38

26-36/37/39

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|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 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:172.98
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.0648087
Monoisotopic Mass:173.0648087
Topological Polar Surface Area:53.4
Heavy Atom Count:13
Complexity:177
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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