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ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE

ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE structure

CAS No:
2528-00-9
Formula:
C8H9ClO3
Chemical Name:
ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE
Synonyms:
NSC97518;BUTTPARK9650-29;ETHYL5-(CHLOROMETHYL)-2-FUROATE;Ethyl5-(chloromethyl)-2-furoate95+%;Ethyl5-(chloromethyl)-2-furoate,GC95%;ethyl5-(chloroMethyl)furan-2-carboxylate;ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE;Ethyl5-(chloromethyl)-2-furancarboxylate,95%;Ethyl5-(chloromethyl)-2-furancarboxylate95%;5-CHLOROMETHYL-2-FURANCARBOXYLICACIDETHYLESTER
Categories:
Organic Chemistry > Coordination Complexes

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Description

clear yellow liquid

ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE Basic Attributes

Molecular Weight：

188.61

Exact Mass：

188.02400

NSC Number：

97518

DSSTox ID：

DTXSID90294638

HScode：

2932190090

Characteristics

PSA：

39.4

XLogP3：

Appearance：

Clear yellow Liquid

Density：

1.225 g/mL at 25 °C(lit.)

Boiling Point：

115 °C0.015 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.511(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE Use and Manufacturing

Ethyl 5-chloromethylfuran-2-carboxylate; To a solution of 100 g (0.71 M) of ethyl 2-furoate in 250 ml of 5 dichloromethane are added 30.6 g (1.02 M) of paraformaldehyde and 25.4 g(0.19 M) of zinc chloride. Gaseous hydrogen chloride is passed into the reaction medium. An exothermic reaction is observed, and the temperature reaches35The volatiles were evaporated at room temperature and the crude CMFCC 4 (2.90 g) was dissolved in anhydrous ethanol (20 mL). The clear yellow solution was stirred at 50 °C for 6 h. The solvent was evaporated and the residue was chromatographed using CH2Cl/hexane (1:1 to 3:1 gradient) to give ethyl 5-(chloromethyl)furan-2-carboxylate 5 as a colorless oil (2.390 g, 82percent). ‘H NMR (300 MHz, CDCI3) ö 7.06 (d, J= 3.5 Hz, IH), 6.44 (d, J= 3.5 Hz, 1H), 4.55 (s, 2H), 4.31 (q, J= 7.1 Hz, 2H), 1.32 (t, J= 7.1 Hz, 3H); i3( NMR(75 MHz, CDCI3) ö 158.35, 153.96, 145.02, 118.54, 111.37, 61.10, 36.68, 14.26.

Computed Properties

Molecular Weight:188.61
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:188.0240218
Monoisotopic Mass:188.0240218
Topological Polar Surface Area:39.4
Heavy Atom Count:12
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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ETHYL5-(CHLOROMETHYL)-2-FURANCARBOXYLATE

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