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7-FLUORO-1-TETRALONE

7-FLUORO-1-TETRALONE structure

CAS No:
2840-44-0
Formula:
C10H9FO
Chemical Name:
7-FLUORO-1-TETRALONE
Synonyms:
7-Fluoro-1-tetealone;7-FLUORO-A-TETRALONE;7-Fluoro-α-Tetralone;7-FLUORO-1-TETRALONE;7-Fluoro-2-tertralone;7-Fluoro-1-tetralone97%;7-FLUORO-3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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7-FLUORO-1-TETRALONE Basic Attributes

Molecular Weight：

164.179

Exact Mass：

164.063736

DSSTox ID：

DTXSID90438833

HScode：

2914700090

Characteristics

PSA：

17.1

XLogP3：

2.1

Density：

1.2±0.1 g/cm3

Melting Point：

61-66°C

Boiling Point：

258.1°C at 760 mmHg

Flash Point：

99.5±14.5 °C

Refractive Index：

1.543

Vapor Pressure：

0.014mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

7-FLUORO-1-TETRALONE Use and Manufacturing

General procedure: To a solution of phosphorus tribromide (1.35 mL, 14.2 mmol) in CHCl3 (30 mL), DMF (1.30 mL, 16.7 mmol) was added dropwise at 0 °C. The mixture was stirred at 0 °C for 2 h. Then, a solution of compound 20a (1.00 g, 5.54 mmol) in CHCl3 (10 mL) was added to the mixture at 0 °C. The resulting mixture was stirred with heating to reflux for 2 h. A saturated aqueous NaHCO3 was added to the reaction mixture. The aqueous layer was extracted with CH2Cl2. The combined organic layer was washed with brine, and then dried over MgSO4. The solvent was removed under reduced pressure, and the resulting light yellow oil (1.11 g) was directly used for the next reaction.

Computed Properties

Molecular Weight:164.18
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:164.063743068
Monoisotopic Mass:164.063743068
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2840-44-0

Grade: Industrial Grade

Content: 99%

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