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4-BROMO-1(2H)-ISOQUINOLONE

4-BROMO-1(2H)-ISOQUINOLONE structure

CAS No:
3951-95-9
Formula:
C9H6BrNO
Chemical Name:
4-BROMO-1(2H)-ISOQUINOLONE
Synonyms:
4-bromoisocarbostyril;4-Bromoisoquinolin-1-ol;4-BROMO-1(2H)-ISOQUINOLONE;4-BROMO-2H-ISOQUINOLIN-1-ONE;4-broMoisoquinolin-1(2H)-one;4-Bromo-1(2H)-isoquinolinone;4-BROMO-1-HYDROXYISOQUINOLINE;4-Bromoisoquinolin-1-ol,4-Bromoisoquinolin-1(2H)-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-BROMO-1(2H)-ISOQUINOLONE Basic Attributes

Molecular Weight：

224.05

Exact Mass：

222.963272

NSC Number：

265341

DSSTox ID：

DTXSID80312971

HScode：

2933790090

Characteristics

PSA：

29.1

XLogP3：

1.7

Density：

1.7±0.1 g/cm3

Melting Point：

248-249 °C (decomp)(Solv: acetic acid (64-19-7); water (7732-18-5))

Boiling Point：

408°C at 760 mmHg

Flash Point：

200.5±28.7 °C

Refractive Index：

1.654

Safety Information

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P264, P280, P305+P351+P338, P33, P313

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.

4-BROMO-1(2H)-ISOQUINOLONE Use and Manufacturing

Intermediate 6 4-bromoisoquinolin-1(2H)-one [0497] [0498] To a solution of isoquinolin-1(2H)-one (105 mg, 0.723 mmol) in DMF (2 mL), was added NBS (142 mg, 0.796 mmol). The mixture was stirred at rt for 2 h, then was concentrated. The crude product was purified via preparative HPLC to afford 110 mg (68percent) of Intermediate 6. [0499] MS (ESI) m/z: 223.9 (M+H)

Computed Properties

Molecular Weight:224.05
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:222.96328
Monoisotopic Mass:222.96328
Topological Polar Surface Area:29.1
Heavy Atom Count:12
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 3951-95-9

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 4-BROMO-1(2H)-ISOQUINOLONE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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