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2-Bromo-6-fluorophenol

2-Bromo-6-fluorophenol structure

CAS No:
2040-89-3
Formula:
C6H4BrFO
Chemical Name:
2-Bromo-6-fluorophenol
Synonyms:
Phenol,2-bromo-6-fluoro-;2-Bromo-6-fluorophenol
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Pale yellow liquid

2-Bromo-6-fluorophenol Basic Attributes

Molecular Weight：

191

Exact Mass：

191.00

EC Number：

807-795-0

DSSTox ID：

DTXSID00381366

HScode：

2908199090

Characteristics

PSA：

20.2

XLogP3：

2.8

Density：

1.8±0.1 g/cm3

Melting Point：

50 °C

Boiling Point：

173°C at 760 mmHg

Flash Point：

58.4±21.8 °C

Refractive Index：

1.576

Storage Conditions：

Room temperature.

Vapor Pressure：

0.97mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302+H312

GHS Classification：

|Warning|H302+H312 (25%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-6-fluorophenol Use and Manufacturing

3) Synthesis of 2-fluoro-6-bromophenol [D1] (Step d) d: To a 250 ml reactor were 146.5 g (0.5 mol) of [C1] and 200 ml of a 70percent sulfuric acid solution. They were reacted under a temperature of 180°C for 5 hours and then cooled to ordinary temperature. Then, 200 ml of dichloromethane was added and extraction was conducted. The extraction liquid was washed and dried and the solvent was removed by distillation to obtain 76.4 g of an oily product [D1]. The process yield was 80percent.3) Starting from 2-fluorophenol (86-1, 33.8 g, 302 mmol), Boc-T86 was prepared utilizing the five step process shown in 26percent yield (corrected for recovered starting materials in step 3).TLC: R95.5 g of

Computed Properties

Molecular Weight:191.00
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:189.94296
Monoisotopic Mass:189.94296
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-6-fluorophenol

CAS No.: 2040-89-3

Content: 99.00%

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