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Quinoline-5-boronicacid

Quinoline-5-boronicacid structure

CAS No:
355386-94-6
Formula:
C9H8BNO2
Chemical Name:
Quinoline-5-boronicacid
Synonyms:
5-QUINOLINEBORONIC ACID;AKOS BRN-0681;CHEMBRDG-BB 4202092;QUINOLIN-5-YLBORONIC ACID;QUINOLINE-5-BORONIC ACID;Boronic acid, 5-quinolinyl- (9CI);5-QUINOLINBORONIC ACID;QUINOLIN-5-YL-5-BORONIC ACID
Categories:
Organic Chemistry > Coordination Complexes

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Quinoline-5-boronicacid Basic Attributes

Molecular Weight：

172.98

Exact Mass：

173.0648087

EC Number：

670-357-0

DSSTox ID：

DTXSID90408935

HScode：

2933499090

Characteristics

PSA：

53.35000

XLogP3：

-0.08540

Density：

1.28±0.1 g/cm3

Melting Point：

144-148°C

Boiling Point：

400.3±37.0 °C(Predicted)

Flash Point：

195.9ºC

Refractive Index：

1.644

PKA：

7.46±0.30

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38-36/38

safety instructions：

26-36-37/39-37

Marks：

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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

5-quinolineboronic acid

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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