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1-Iodo-2-naphthalenol

1-Iodo-2-naphthalenol structure

CAS No:
2033-42-3
Formula:
C10H7IO
Chemical Name:
1-Iodo-2-naphthalenol
Synonyms:
2-Naphthalenol,1-iodo-;2-Naphthol,1-iodo-;1-Iodo-2-naphthalenol;1-Iodo-2-naphthol;NSC 87885;2-Hydroxy-1-iodonaphthalene;1-Iodo-2-hydroxynaphthalene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Iodo-2-naphthalenol Basic Attributes

Molecular Weight：

270.069

Exact Mass：

270.07

NSC Number：

87885

DSSTox ID：

DTXSID70174227

HScode：

2908199090

Characteristics

PSA：

20.2

XLogP3：

3.5

Density：

1.874 g/cm3

Melting Point：

94.5 °C

Boiling Point：

307°C at 760 mmHg

Flash Point：

139.4ºC

Refractive Index：

1.753

Safety Information

wgk germany：

hazard class code：

R38

safety instructions：

26-36/37/39-61

Marks：

Xi: Irritant;N: Dangerous for the environment;

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P362

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, and P362|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Iodo-2-naphthalenol Use and Manufacturing

2-hydroxynaphthoic acid (37.6 mg, 0.2 mmol), NIS (47.3 mg, 0.21 mmol), palladium acetate (0.9 mg, 0.002 mmol), and a stirrer were placed in the reaction tube. After replacing the inert gas, 1 ml of solvent DMF was added, Sealed reaction tube. The reaction tube was placed in an oil bath reaction reactor at 80 ° C and stirred for 3 hours. After cooling to room temperature, use 2 mol / L sodium hydroxide Solution adjusted pH = 10. The reaction tube was diluted with 5 ml of water and extracted with ethyl acetate. The extracts were combined and washed with water Dried over sodium sulfate, filtered and the filtrate was concentrated under reduced pressure. The mixture was eluted with ethyl acetate: petroleum ether = 0 to 1: 30 (volume ratio) The crude product was subjected to column chromatography to give pure 1-iodo-2-naphthol (33.0 mg, 61percent).To a stirred solution of 2-naphthol (1.0g, 6.9 mmol) and conc. H

Computed Properties

Molecular Weight:270.07
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:269.95416
Monoisotopic Mass:269.95416
Topological Polar Surface Area:20.2
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2033-42-3 1-iodonaphthalen-2-ol

CAS No.: 2033-42-3

Grade: Industrial Grade

Content: 95%

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