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Ethyl 4-bromomethylbenzoate

Ethyl 4-bromomethylbenzoate structure

CAS No:
26496-94-6
Formula:
C10H11BrO2
Chemical Name:
Ethyl 4-bromomethylbenzoate
Synonyms:
Benzoic acid,4-(bromomethyl)-,ethyl ester;p-Toluic acid,α-bromo-,ethyl ester;4-Carbethoxybenzyl bromide;Ethyl 4-bromomethylbenzoate;p-Ethoxycarbonylbenzyl bromide;α-Bromo-p-toluic acid ethyl ester;4-(Bromomethyl)benzoic acid ethyl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Ethyl 4-bromomethylbenzoate Basic Attributes

Molecular Weight：

243.1

Exact Mass：

243.10

BRN：

1869569

EC Number：

607-949-5

DSSTox ID：

DTXSID00359262

HScode：

2916399090

Characteristics

PSA：

26.3

XLogP3：

3.2

Density：

1.4±0.1 g/cm3

Melting Point：

35-36 °C

Boiling Point：

165 °C @ Press: 15 Torr

Flash Point：

145°C/5mm

Refractive Index：

1.551

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

1759

hazard class code：

22-34

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (73.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, and P501|Aggregated GHS information provided by 15 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Ethyl 4-bromomethylbenzoate Use and Manufacturing

To a stirred solution of 4-Methyl-benzoic acid ethyl ester (5 g, 30.49 mmol)) in carbon tetrachloride (35 ml) was added N-bromosuccinimide (5.90 g, 33.53 mmol) and benzoyl peroxide (720 mg, 1.52 mmol). The feaction mixture was heated under reflux for 4 h. It was monitored by thin layer chromatography. The reaction mixture was cooled to room temperature and then filtered. The filtrate was evaporated under vacuo to afford color less oil (7.25 g, 98 percent).General procedure: KBr (29.8 mg, 0.25 mmol, 1.0 equiv), 1-ethyl-4-nitrobenzene (1a) (41.6 mg, 0.275 mmol, 1.1 equiv), Oxone (153.9 mg, 0.25 mmol, 1.0 equiv), CH(a)

Computed Properties

Molecular Weight:243.10
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:241.99424
Monoisotopic Mass:241.99424
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl 4-(bromomethyl)benzoate

CAS No.: 26496-94-6

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Guide of Ethyl 4-bromomethylbenzoate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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Ethyl 4-bromomethylbenzoate

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