 Home > Encyclopedia > 3-(5-Bromo-2-fluorophenyl)-2-propenoic acid

3-(5-Bromo-2-fluorophenyl)-2-propenoic acid

3-(5-Bromo-2-fluorophenyl)-2-propenoic acid structure

CAS No:
202865-71-2
Formula:
C9H6BrFO2
Chemical Name:
3-(5-Bromo-2-fluorophenyl)-2-propenoic acid
Synonyms:
2-Propenoic acid,3-(5-bromo-2-fluorophenyl)-;3-(5-Bromo-2-fluorophenyl)-2-propenoic acid;5-Bromo-2-fluorocinnamic acid
Categories:
Flavors and Fragrances > Synthetic Fragrances

Request for Quotation

Description

white to light yellow crystal powder

3-(5-Bromo-2-fluorophenyl)-2-propenoic acid Basic Attributes

Molecular Weight：

245.05

Exact Mass：

245.05

EC Number：

606-498-1

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.7

Appearance：

white to light yellow crystal powder

Density：

1.685g/cm3

Melting Point：

195-199 °C

Boiling Point：

336ºC at 760mmHg

Flash Point：

157ºC

Vapor Pressure：

4.55E-05mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

37/39-26

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, 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.

3-(5-Bromo-2-fluorophenyl)-2-propenoic acid Use and Manufacturing

5-Bromo-2-fluoro-benzaldehyde (5.0 g, 24.6 mmol), malonic acid (5.6 g, 53.7 mmol), and piperidine (0.5 mL, 4.9 mmol) were added to pyridine (11.4 mL). The reaction mixture was stirred at 100° C. for 3 hours and then concentrated under reduced pressure. Distilled water was added to the reaction mixture, which was then filtered. The resulting solid was recrystallized from ethanol to give 1.3 g of the titled compound as a white solid. (0164)

Computed Properties

Molecular Weight:245.04
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:243.95352
Monoisotopic Mass:243.95352
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:218
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Pyridine

Morpholine

Hydrochloric acid

Learn More Other Chemicals

Hot Searches: is gallium toxic; teriparatide brand name; pyrazine; sf6 compound name; ethyl acetate safety data sheet; formula of potassium sulphate

Guide of 3-(5-Bromo-2-fluorophenyl)-2-propenoic acid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

3-(5-Bromo-2-fluorophenyl)-2-propenoic acid

SDS

Request for Quotation



Feedback & Suggestions

Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.