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3-Amino-4-fluorophenol

3-Amino-4-fluorophenol structure

CAS No:
62257-16-3
Formula:
C6H6FNO
Chemical Name:
3-Amino-4-fluorophenol
Synonyms:
Phenol,3-amino-4-fluoro-;3-Amino-4-fluorophenol;2-Fluoro-5-hydroxyaniline
Categories:
Organic Chemistry > Organic Fluorine Compound

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3-Amino-4-fluorophenol Basic Attributes

Molecular Weight：

127.12

Exact Mass：

127.12

EC Number：

1308068-626-2

DSSTox ID：

DTXSID20542795

HScode：

2922299090

Characteristics

PSA：

46.2

XLogP3：

1.1

Density：

1.3±0.1 g/cm3

Melting Point：

141-143 °C

Boiling Point：

269.3°C at 760 mmHg

Flash Point：

116.7±21.8 °C

Refractive Index：

1.602

Safety Information

hazard class code：

Marks：

Hazard note：

Toxic

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (90%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 20 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Amino-4-fluorophenol Use and Manufacturing

2-Chloro-4-fluoro-5-nitrophenol (85 g, 0.45 mol) and 10percent Pd/C (25 g, 0.023 mol) were combined in EtOH and hydrogenated (50 psi) for 12 h. 2-Chloro-4-fluoro-5-nitrophenol (85 g, 0.45 mol) and 10percent Pd/C (25g, 0.023 mol) were combined in EtOH and hydrogenated (50 psi) for 12h. The reaction mixture was filtered. The filtrate was concentrated in vacuo and purified by silica gel chromatography to provide 3-amino-4-fluorophenol (40 g 70percent yield). 2-Chloro-4-fiuoro-5-nitrophenol (85 g, 0.45 mol) and 10percent Pd/C (25g, 0.023 mol) were combined in EtOH and hydrogenated (50 psi) for 12h. The reaction mixture was filtered, concentrated in vacuo and purified by silica gel chromatography to provide 3-amino-4-fiuorophenol (40 g 70percent yield). 1H NMR (400 MHz, DMSO-i/Reference EXAMPLE 5Synthesis of anilines 36-H and 36-Me by alkaline hydrolysis of the trifluoroacetamides 32-OH-H and 32-0H-Me (general method (4))2-Fluoro-5-hydroxyaniline (36-H) was obtained by heating the solution of trifluoroacetamide 32-OH-H (3.50 g, 15.7 mmol) in MeOH (25 mL) with 30percent aq. NaOH (5.5 mL, 30 mmol) at 90 °C. The mixture was refluxed overnight and, after cooling down to room temperature, neutralized with 3 M aq. HCl. The title compound was extracted with ether (2*100 mL) ; the solvent was evaporated in vacuo, and the residue was purified on SiO3-Amino-4-fluorophenol Example 24

Computed Properties

Molecular Weight:127.12
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:127.043341977
Monoisotopic Mass:127.043341977
Topological Polar Surface Area:46.2
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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