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8-Quinolineboronicacid

8-Quinolineboronicacid structure

CAS No:
86-58-8
Formula:
C9H8BNO2
Chemical Name:
8-Quinolineboronicacid
Synonyms:
8-BAQ;8-Boronoquinoline;8-Quinolineboronic;RARECHEM AH PB 0127;TIMTEC-BB SBB003824;8-quindineboronic acid;8-QUINOLINBORONIC ACID;8-QUINOLINEBORONIC ACID;QUINOLINE-8-BORONIC ACID;8-QUINOLINYLBORONIC ACID
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

yellow crystal powder

8-Quinolineboronicacid Basic Attributes

Molecular Weight：

172.98

Exact Mass：

173.064804

BRN：

147522

UNII：

5QS1A25IJ6

DSSTox ID：

DTXSID00370270

HScode：

2933499090

Characteristics

PSA：

53.4

XLogP3：

-0.08540

Appearance：

Yellow to beige Powder

Density：

1.3±0.1 g/cm3

Melting Point：

>300 °C(lit.)

Boiling Point：

160-165°C

Flash Point：

195.9±26.5 °C

Refractive Index：

1.645

Storage Conditions：

0-6°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-36/38

safety instructions：

26-37/39-36

Marks：

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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

8-quinolineboronic acid

8-Quinolineboronicacid Use and Manufacturing

suzuki reaction

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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