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4-Fluoro-2-methoxyphenol

4-Fluoro-2-methoxyphenol structure

CAS No:
450-93-1
Formula:
C7H7FO2
Chemical Name:
4-Fluoro-2-methoxyphenol
Synonyms:
Phenol,4-fluoro-2-methoxy-;4-Fluoro-2-methoxyphenol;2-Methoxy-4-fluorophenol
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear slightly yellow liquid

4-Fluoro-2-methoxyphenol Basic Attributes

Molecular Weight：

142.129

Exact Mass：

142.13

EC Number：

626-485-4

DSSTox ID：

DTXSID80196359

HScode：

2909500000

Characteristics

PSA：

29.5

XLogP3：

0.9

Density：

1.2±0.1 g/cm3

Boiling Point：

94-95 °C @ Press: 16 Torr

Flash Point：

101.4±18.3 °C

Refractive Index：

1.512

Safety Information

Transport codes：

2735

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (11.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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：

4-fluoro-2-methoxyphenol

4-Fluoro-2-methoxyphenol Use and Manufacturing

A mixture of methyl 2-chloro-5-fluoro-6-methoxy-pyridine-3-carboxylate (200 mg, 0.911 mmol), A mixture of ethyl 2-chloro-5-cyano-6-methyl-pyridine-3-carboxylate (150 mg, 0.668 mmol), A mixture of methyl 5-bromo-2-chloronicotinate (100 mg, 0.399 mmol), 4- fluoro-2-methoxyphenol (47.8 pL, 0.419 mmol) and cesium carbonate (325 mg, 0.998 mmol) in MeCN (3 mL) was stirred at 50 C for 20 h. The contents were diluted with EtOAc, washed with 2% Na2C03 (3x), brine (lx), dried over MgSCri. filtered and the solvent removed in vacuo to give methyl 5-bromo-2-(4-fluoro-2-methoxy- phenoxy)pyridine-3-carboxylate (90.7 mg, 0.255 mmol, 63.8 % yield) as a tan solid. This material was carried forward without further purification. MS, ES+m/z355.9/357.9 [M+H]+.Tf-NMR (400 MHz, DMSO-rie) d 8.40 (s, 2 H), 7.18 (dd, J=8.84, 5.81 Hz, 1 H), 7.08 (dd, J=l0.74, 2.91 Hz, 1 H), 6.80 (td, J=8.46, 2.78 Hz, 1 H), 3.87 (s, 3 H), 3.69 (s, 3 H).A mixture of ethyl 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylate (150 mg, 0.668 mmol),

Computed Properties

Molecular Weight:142.13
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:142.04300762
Monoisotopic Mass:142.04300762
Topological Polar Surface Area:29.5
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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