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2-Chloro-4-methoxyphenol

2-Chloro-4-methoxyphenol structure

CAS No:
18113-03-6
Formula:
C7H7ClO2
Chemical Name:
2-Chloro-4-methoxyphenol
Synonyms:
Phenol,2-chloro-4-methoxy-;2-Chloro-4-methoxyphenol
Categories:
Organic Chemistry > Coordination Complexes

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Description

WHITE TO LIGHT YELLOW CRYST. LOW MELTING SOLID

2-Chloro-4-methoxyphenol Basic Attributes

Molecular Weight：

158.58

Exact Mass：

158.58

BRN：

1936412

EC Number：

242-007-3

DSSTox ID：

DTXSID50171077

HScode：

29071990

Characteristics

PSA：

29.5

XLogP3：

2.4

Appearance：

White to light yellow Crystalline Low Melting Solid

Density：

1.153 g/mL at 25 °C(lit.)

Melting Point：

46-47 °C @ Solvent: Ligroine

Boiling Point：

108 °C @ Press: 15 Torr

Flash Point：

185 °F

Refractive Index：

1.554

Storage Conditions：

0-10°C

Vapor Pressure：

0.0184mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (97.83%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Chloro-4-methoxyphenol Use and Manufacturing

General procedure: General procedure for the preparation of m-chlorophenols: To MOB 2a (1.0mmol) in a reaction vessel was added 4N HCl in 1, 4-dioxane (0.5mL, 2mmol) drop-wise. Disappearance of the yellow colour of MOB 2a was instantaneous. The solvent was evaporated in vacuo. The residue was diluted with ethyl acetate (10mL) and washed with saturated aqueous NaHCOGeneral procedure: To a 10-mL round-bottomed flask equipped with magnetic stir bar was charged with TMS-protected phenol 1 (0.15 mmol), alkene 2 (0.6 mmol), Na2S2O8 (0.45 mmol), and dried MeCN (1.5 mL); the flask put under vacuum and purged with N2 (3 ×). The mixture was heated at 50 °C until consumption of starting material ceased (monitored by TLC). The mixture was filtered, and the filtrate was concentrated in vacuo. The residue was purified by flash column chromatography to give the final product.General procedure: To a 10-mL round-bottomed flask equipped with magnetic stir bar was charged with TMS-protected phenol 1 (0.15 mmol), alkene 2 (0.6 mmol), Na2S2O8 (0.45 mmol), and dried MeCN (1.5 mL); the flask put under vacuum and purged with N2 (3 ×). The mixture was heated at 50 °C until consumption of starting material ceased (monitored by TLC). The mixture was filtered, and the filtrate was concentrated in vacuo. The residue was purified by flash column chromatography to give the final product.

Computed Properties

Molecular Weight:158.58
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:158.0134572
Monoisotopic Mass:158.0134572
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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