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Name

4-Bromo-2-chloro-6-fluorophenol

EINECS

N/A

CAS No.

161045-79-0

Density

1.875g/cm³

PSA

20.23000

LogP

2.94720

Solubility

N/A

Melting Point

N/A

Formula

C6H3 Br Cl F O

Boiling Point

212.5°Cat760mmHg

Molecular Weight

225.445

Flash Point

82.3°C

Transport Information

N/A

Appearance

N/A

Safety

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36/37/39
Hazard Note	Harmful

Risk Codes

36/37/38

Molecular Structure

Hazard Symbols

Synonyms

4-Bromo-2-chloro-6-fluorophenol

4-Bromo-2-chloro-6-fluorophenol Synthetic route

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 107-30-2
chloromethyl methyl ether

: 5-bromo-1-chloro-3-fluoro-2-(methoxymethoxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone at 0 - 20℃;	99%

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 2969-81-5
4-bromoethylbutanoate

: 4-(4-bromo-2-chloro-6-fluorophenoxy)butanoic acid ethyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h;	97%

: 913299-00-0
2-chloro-7-(1-ethylpropyl)-4-methoxy-1-methyl-1H-benzimidazole

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 1022250-06-1
2-(4-bromo-2-chloro-6-fluorophenoxy)-7-(1-ethylpropyl)-4-methoxy-1-methyl-1H-benzimidazole

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 130℃; for 96h;	16%

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 1401717-51-8
4-bromo-2-chloro-6-fluorophenol

Conditions

Conditions	Yield
With water-d2 for 168h;

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 2-fluoro-4-bromocyclopentadienylidenemethanone hydrochloride

Conditions

Conditions	Yield
Wolff Rearrangement; UV-irradiation;

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 78-77-3
Isobutyl bromide

: 5-bromo-1-chloro-3-fluoro-2-isobutoxybenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 0.5h;
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 0.5h;

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: benzyl 4-isobutyl-4-methyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide

: benzyl (1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl)carbamate

Conditions

Conditions	Yield
With sodium carbonate In 1-methyl-pyrrolidin-2-one at 50℃;
With sodium carbonate In 1-methyl-pyrrolidin-2-one at 50℃;

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 96-32-2
bromoacetic acid methyl ester

: methyl 2-(4-bromo-2-chloro-6-fluorophenoxy)acetate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h;	2.53 g

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: C22H32ClFO5Si

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 2.1: titanium(IV) isopropylate / tetrahydrofuran; diethyl ether / 0 - 20 °C / Inert atmosphere 3.1: 2,6-dimethylpyridine / dichloromethane / 0 - 20 °C 4.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere 4.2: 1 h / -78 - 20 °C 5.1: lithium chloride; trimethylsilyl cyanide / 2 h / 50 °C / Inert atmosphere 5.2: 0.5 h / -78 °C 5.3: 2 h / -78 °C View Scheme

Yield

Multi-step reaction with 5 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C
2.1: titanium(IV) isopropylate / tetrahydrofuran; diethyl ether / 0 - 20 °C / Inert atmosphere
3.1: 2,6-dimethylpyridine / dichloromethane / 0 - 20 °C
4.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere
4.2: 1 h / -78 - 20 °C
5.1: lithium chloride; trimethylsilyl cyanide / 2 h / 50 °C / Inert atmosphere
5.2: 0.5 h / -78 °C
5.3: 2 h / -78 °C
View Scheme

: 161045-79-0
4-bromo-2-chloro-6-fluoro-phenol

: 1-[(4-bromo-2-chloro-6-fluorophenoxy)methyl]cyclopropan-1-ol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 20 °C 2: titanium(IV) isopropylate / tetrahydrofuran; diethyl ether / 0 - 20 °C / Inert atmosphere View Scheme

4-Bromo-2-chloro-6-fluorophenol Chemical Properties

The Molecular Structure of 4-Bromo-2-chloro-6-fluorophenol (CAS NO.161045-79-0):

Empirical Formula: C₆H₃BrClFO
Molecular Weight: 225.4428
IUPAC Name: 4-bromo-2-chloro-6-fluorophenol
Product Categories: Phenol&Thiophenol&Mercaptan
Nominal Mass: 224 Da
Average Mass: 225.4428 Da
Monoisotopic Mass: 223.903976 Da
Index of Refraction: 1.592
Molar Refractivity: 40.71 cm³
Molar Volume: 120.2 cm³
Surface Tension: 47.6 dyne/cm
Density: 1.875 g/cm³
Flash Point: 82.3 °C
Enthalpy of Vaporization: 46.71 kJ/mol
Boiling Point: 212.5 °C at 760 mmHg
Vapour Pressure: 0.119 mmHg at 25°C

4-Bromo-2-chloro-6-fluorophenol Safety Profile

Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
Hazard Note: Harmful
HazardClass: IRRITANT-HARMFUL

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