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4-Chloro-3-fluorophenol

4-Chloro-3-fluorophenol structure

CAS No:
348-60-7
Formula:
C6H4ClFO
Chemical Name:
4-Chloro-3-fluorophenol
Synonyms:
Phenol,4-chloro-3-fluoro-;4-Chloro-3-fluorophenol;3-Fluoro-4-chlorophenol
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

White to salmon crystalline solid

4-Chloro-3-fluorophenol Basic Attributes

Molecular Weight：

146.55

Exact Mass：

146.55

BRN：

3236440

EC Number：

-0

DSSTox ID：

DTXSID40369148

HScode：

29081990

Characteristics

PSA：

20.2

XLogP3：

2.8

Appearance：

Colorless to pale yellow, may discolor to orange during storage Liquid

Density：

1.4±0.1 g/cm3

Melting Point：

54-56 °C(lit.)

Boiling Point：

84 °C @ Press: 4.4 Torr

Flash Point：

>230 °F

Refractive Index：

1.548

Water Solubility：

chloroform: soluble 50mg/mL, clear, colorless

Safety Information

Hazard category：

Transport codes：

2811

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-37/39-36/37/39-24/25

Marks：

Xi,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-3-fluorophenol Use and Manufacturing

General procedure: To a solution of [2-(phenoxy)-ethyl]-trimethyl-silane (Table-3, entry-1) (195mg, 1.0 mmol) in dry DMF (2 ml) was added cesium fluoride (576 mg, 3.0 mmol) and heated at 60°C for 1 h. Reaction mass was diluted with water and extracted with ethyl acetate (3 x 20 ml). The combined organic layer was washed with water, brine solution, dried over anhydrous sodium sulphate and concentrated under reduce pressure to give phenol 92mg (93percent yield). Phenols of Table-3 are commercially available from Aldrich and its identity was confirmed by comparison of 1H NMR data with authentic sample.

Computed Properties

Molecular Weight:146.54
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:145.9934706
Monoisotopic Mass:145.9934706
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-Chloro-3-fluorophenol

CAS No.: 348-60-7

Content: 99.00%

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