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2-Bromo-5-chlorophenol

2-Bromo-5-chlorophenol structure

CAS No:
13659-23-9
Formula:
C6H4BrClO
Chemical Name:
2-Bromo-5-chlorophenol
Synonyms:
Phenol,2-bromo-5-chloro-;2-Bromo-5-chlorophenol
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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Description

Pale yellow crystalline powder

2-Bromo-5-chlorophenol Basic Attributes

Molecular Weight：

207.46

Exact Mass：

207.45

DSSTox ID：

DTXSID80534671

HScode：

2908199090

Characteristics

PSA：

20.2

XLogP3：

3.2

Density：

1.788±0.06 g/cm3(Predicted)

Boiling Point：

222.2±20.0 °C(Predicted)

Flash Point：

88.2±21.8 °C

Refractive Index：

1.619

Storage Conditions：

Keep Cold

Safety Information

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-5-chlorophenol Use and Manufacturing

To a solution of 1-bromo-5-chloro-2 methoxyphenyl 275 (2.5 g, 11 mmol, 1 eq) in DCM (100 mL) was added dropwise BBrA solution of 5.03 gm (39.1 mMol) 3-chlorophenol in 20 mL dichloromethane was cooled in an ice bath as 6.25 gm (39.1 mMol) bromine were added dropwise. The reaction mixture was allowed to warm to room temperature and was stirred for 16 hours. The reaction mixture was diluted with water, the phases separated, and the organic phase dried over magnesium sulfate. The residue was subjected to silica gel chromatography, eluting with 3:2 dichloromethane:hexanes. Fractions containing product were combined and concentrated under reduced pressure to provide 2.04 gm (25percent) of 2-bromo-5-chlorophenol. HRMS: Calculated for C4H4OClBr: 205.9134. Found: 205.9125. EA: Calculated for C4H4OClBr: C, 34.74; H, 1.94. Found: C, 34.74; H, 1.76.

Computed Properties

Molecular Weight:207.45
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:205.91341
Monoisotopic Mass:205.91341
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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2-Bromo-5-chlorophenol

CAS No.: 13659-23-9

Content: 99.00%

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