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Methyl 3-bromo-4-fluorobenzoate

Methyl 3-bromo-4-fluorobenzoate structure

CAS No:
82702-31-6
Formula:
C8H6BrFO2
Chemical Name:
Methyl 3-bromo-4-fluorobenzoate
Synonyms:
Benzoic acid,3-bromo-4-fluoro-,methyl ester;Methyl 3-bromo-4-fluorobenzoate;3-Bromo-4-fluorobenzoic acid methyl ester;Methyl 4-fluoro-3-Bromobenzoate
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

off-white powder

Methyl 3-bromo-4-fluorobenzoate Basic Attributes

Molecular Weight：

233.03

Exact Mass：

233.03

EC Number：

617-378-3

DSSTox ID：

DTXSID30426936

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

2.6

Density：

1.6±0.1 g/cm3

Melting Point：

26-28

Boiling Point：

245.3ºC at 760 mmHg

Flash Point：

102.1±21.8 °C

Refractive Index：

1.531

Storage Conditions：

Keep Cold

Safety Information

hazard class code：

Marks：

Xi,Xn

Hazard note：

Irritant/Keep cold

GHS Classification：

|Warning|H302 (50%): 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.

Methyl 3-bromo-4-fluorobenzoate Use and Manufacturing

a) Potassium carbonate (681 mg, 4.93 mmol) was added to 2-chloro-4-cyclopropyl-6-methylphenol (300 mg, 1.64 mmol) and Potassium carbonate (559 mg, 4.05 mmol) was added to 2-cyclopropyl-6-methylphenol (200 mg, 1.35 mmol) and Potassium carbonate (639 mg, 4.62 mmol) was added to 4-cyclopropyl-2, 6-dimethylphenol (250 mg, 1.54 mmol) and Cesium carbonate (3.1 g, 9.6 mmol) was added to 4-fluoro-2, 6-dimethylphenol (0.9 g, 6.4 mmol) and

Computed Properties

Molecular Weight:233.03
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:231.95352
Monoisotopic Mass:231.95352
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Methyl 3-bromo-4-fluorobenzoate

CAS No.: 82702-31-6

Content: 99.00%

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Guide of Methyl 3-bromo-4-fluorobenzoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Methyl 3-bromo-4-fluorobenzoate

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