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4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol

4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol structure

CAS No:
70217-01-5
Formula:
C13H8ClNO3
Chemical Name:
4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol
Synonyms:
6-CHLORO-2-BENZOXAZOLYL OXYPHENOL;4-[(6-chloro-2-benzoxazolyl)oxy]-;4-[(6-Chloro-2-benzoxazolyl)oxy]phenol;4-((6-Chlorobenzo[d]oxazol-2-yl)oxy)phenol;4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol
Categories:
Agrochemicals > Pesticide Intermediates

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4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol Basic Attributes

Molecular Weight：

261.66

Exact Mass：

261.01900

DSSTox ID：

DTXSID20220480

HScode：

2934999090

Characteristics

PSA：

55.5

XLogP3：

3.97910

Density：

1.449g/cm3

Boiling Point：

430.4ºC at 760 mmHg

Flash Point：

214.1ºC

Refractive Index：

1.673

4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol Use and Manufacturing

Methods of Manufacturing

The preparation method is to add 2, 6-dichlorobenzoxazole, hydroquinone, potassium carbonate and solvent into the reaction kettle, react at 60℃ for 1h, then heat up to 130～135℃, react for 3～5h, cool down After reaching 90°C, desolving and cooling to room temperature, adding hydrochloric acid to neutralize to pH=4 to obtain a solid, which is filtered and dried to obtain a finished product.

Uses

6-Chloro-2-benzoxazolyloxyphenol is an intermediate of the herbicide oxazolachlor.

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

AE F040356 is a known environmental transformation product of Fenoxaprop-P-ethyl.

Computed Properties

Molecular Weight:261.66
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:261.0192708
Monoisotopic Mass:261.0192708
Topological Polar Surface Area:55.5
Heavy Atom Count:18
Complexity:283
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Hydroquinone

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Guide of 4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

4-[(6-Chloro-1,3-benzoxazol-2-yl)oxy]phenol

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