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3-Chloro-5-methoxyphenol

3-Chloro-5-methoxyphenol structure

CAS No:
65262-96-6
Formula:
C7H7ClO2
Chemical Name:
3-Chloro-5-methoxyphenol
Synonyms:
Phenol,3-chloro-5-methoxy-;3-Chloro-5-methoxyphenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-Chloro-5-methoxyphenol Basic Attributes

Molecular Weight：

158.59

Exact Mass：

158.58

EC Number：

265-661-1

DSSTox ID：

DTXSID60215577

HScode：

2909500000

Characteristics

PSA：

29.5

XLogP3：

2.8

Density：

1.3±0.1 g/cm3

Melting Point：

99 °C

Boiling Point：

265.3°C at 760 mmHg

Flash Point：

114.2±21.8 °C

Refractive Index：

1.554

Safety Information

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-Chloro-5-methoxyphenol Use and Manufacturing

3-Chloro-5-methoxy-phenol (Scheme No.4, K); 3-Chloro-5-methoxy-phenol3-Chloro-5-methoxy-phenolSodium methanelhiolate (3.04 g, 43.37 mmol), was added to a solution of l-chloro-3.5- dimethoxy benzene (5.0 g, 28.96 mmol) in 20 ml of l-Methyl-2-Pyrrolidone and the reaction mixture was heated at 140 °C for 2.5 h then stirred at room temperature over night. l-Methyl-2-pyrrolidone was removed under reduced pressure and the material partitioned between ethyl acetate/water/lN hydrochloric acid. The organic layer was washed twice with IN hydrochloric acid, brine, dried over sodium sulfate and solvent removed under reduced pressure to give a yellowish solid. The solid was purified by column chromatography (silica gel 60-120 mesh, 10:90 ethylacetate:hexane) to afford 3- Chloro-5-methoxy-phenol in 76.4 percent yield.MS [M-H] 157.2, Ή NMR (400 MHz, CDCI

Computed Properties

Molecular Weight:158.58
XLogP3:2.8
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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high quality 3-chloro-5-methoxyphenol 99% transparent liquid KANBEI

CAS No.: 65262-96-6

Grade: Industrial Grade

Content: 99%

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