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1-Ethyl (2E)-3-(4-boronophenyl)-2-propenoate

1-Ethyl (2E)-3-(4-boronophenyl)-2-propenoate structure

CAS No:
850568-49-9
Formula:
C11H13BO4
Chemical Name:
1-Ethyl (2E)-3-(4-boronophenyl)-2-propenoate
Synonyms:
2-Propenoic acid,3-(4-boronophenyl)-,1-ethyl ester,(2E)-;1-Ethyl (2E)-3-(4-boronophenyl)-2-propenoate;Ethyl (E)-3-(4-boronophenyl)-2-propenoate;[4-((E)-3-Ethoxy-3-oxo-1-propen-1-yl)phenyl]boronic acid;(E)-[4-(3-Ethoxy-3-oxoprop-1-en-1-yl)phenyl]boronic acid;(E)-(4-(3-Ethoxy-3-oxoprop-1-en-1-yl)phenyl)boronic acid
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Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Ethyl (2E)-3-(4-boronophenyl)-2-propenoate Basic Attributes

Molecular Weight：

220.03

Exact Mass：

220.03

DSSTox ID：

DTXSID60397605

HScode：

2931900090

Characteristics

PSA：

66.8

XLogP3：

2.08

Density：

1.2±0.1 g/cm3

Melting Point：

130-134

Boiling Point：

402.8±47.0 °C at 760 mmHg

Flash Point：

197.4±29.3 °C

Refractive Index：

1.540

Safety Information

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:220.03
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:220.0906891
Monoisotopic Mass:220.0906891
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Complexity:244
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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ETHYL 4-BORONOCINNAMATE

CAS No.: 850568-49-9

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Guide of 1-Ethyl (2E)-3-(4-boronophenyl)-2-propenoate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-Ethyl (2E)-3-(4-boronophenyl)-2-propenoate

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