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1-[3-(Benzoyloxy)phenyl]-2-bromoethanone

1-[3-(Benzoyloxy)phenyl]-2-bromoethanone structure

CAS No:
139-27-5
Formula:
C15H11BrO3
Chemical Name:
1-[3-(Benzoyloxy)phenyl]-2-bromoethanone
Synonyms:
Ethanone,1-[3-(benzoyloxy)phenyl]-2-bromo-;Acetophenone,2-bromo-3′-hydroxy-,benzoate;1-[3-(Benzoyloxy)phenyl]-2-bromoethanone;2-Bromo-3′-hydroxyacetophenone benzoate;3′-(Benzoyloxy)-2-bromoacetophenone;NSC 72995

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1-[3-(Benzoyloxy)phenyl]-2-bromoethanone Basic Attributes

Molecular Weight：

319.15004

Exact Mass：

319.15

NSC Number：

72995

HScode：

2916310090

Characteristics

PSA：

43.4

XLogP3：

3.48340

Density：

1.466g/cm3

Melting Point：

105 °C

Boiling Point：

432.6ºC at 760mmHg

Flash Point：

215.4ºC

Refractive Index：

1.612

Vapor Pressure：

1.1E-07mmHg at 25°C

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-[3-(Benzoyloxy)phenyl]-2-bromoethanone Use and Manufacturing

Methods of Manufacturing

Nitration with acetophenone with concentrated nitric acid produces m-nitroacetophenone, which is then reduced to obtain m-aminoacetophenone, which is then diazotized with sodium nitrite and sulfuric acid and hydrolyzed to obtain m-hydroxyacetophenone. The latter is acylated with benzoyl chloride and brominated with bromine to obtain the product

Uses

Intermediate of phenylephrine hydrochloride (phenylephrine).

Computed Properties

Molecular Weight:319.15
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:317.98916
Monoisotopic Mass:317.98916
Topological Polar Surface Area:43.4
Heavy Atom Count:19
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acetone

Nitric acid

Benzoyl chloride

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Guide of 1-[3-(Benzoyloxy)phenyl]-2-bromoethanone

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material

1-[3-(Benzoyloxy)phenyl]-2-bromoethanone

SDS

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