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4-Bromo-6-chloro-2-cresol

4-Bromo-6-chloro-2-cresol structure

CAS No:
7530-27-0
Formula:
C7H6BrClO
Chemical Name:
4-Bromo-6-chloro-2-cresol
Synonyms:
Phenol,4-bromo-2-chloro-6-methyl-;o-Cresol,4-bromo-6-chloro-;4-Bromo-2-chloro-6-methylphenol;2-Chloro-4-bromo-6-methylphenol;4-Bromo-6-chloro-o-cresol;4-Bromo-6-chloro-2-methylphenol;4-Bromo-6-chloro-2-cresol;NSC 96968
Categories:
Organic Chemistry > Coordination Complexes

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4-Bromo-6-chloro-2-cresol Basic Attributes

Molecular Weight：

221.48

Exact Mass：

221.48

EC Number：

231-394-4

UNII：

V1Q03LGP5K

NSC Number：

96968

DSSTox ID：

DTXSID00226263

HScode：

2908199090

Characteristics

PSA：

20.2

XLogP3：

2.4

Density：

1.7±0.1 g/cm3

Melting Point：

45-47ºC

Boiling Point：

254°C at 760 mmHg

Flash Point：

107.4±25.9 °C

Refractive Index：

1.605

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

GHS Classification：

|Warning|H315 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Bromo-6-chloro-2-cresol Use and Manufacturing

To a solution of 2-chloro-6- methylphenol 34 (5 g, 35 mmol) in AcOH (70 mL) was added NBS (6.2 g, 35 mmol). The solution was stirred at RT for 12 h. AcOH was removed under reduced pressure. The residue was diluted with EtOAc, washed with saturated NaPalladium acetate (56 mg, 0.25 mmol) was added to General procedure: A reaction mixture of (4-cyanophenyl)boronic acid 5 (150 mg, 1.02 mmol, 1.0 equiv.), To a mixture of

Computed Properties

Molecular Weight:221.48
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:219.92906
Monoisotopic Mass:219.92906
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:120
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Bromo-6-chloro-2-cresol

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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4-Bromo-6-chloro-2-cresol

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