[ CAS No. 54109-03-4 ]

Name: 5-Chloroisobenzofuran-1(3H)-one
Brand: Ambeed
SKU: A313655
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COA GC NMR CNMR HPLC/UPLC LC-MS SDS

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SDS

Product Details of [ 54109-03-4 ]

CAS No. :	54109-03-4	MDL No. :	MFCD09842447
Formula :	C₈H₅ClO₂	Boiling Point :	363.9°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	168.58	Pubchem ID :	241737
Synonyms :

Computed Properties of [ 54109-03-4 ]

TPSA :Topological Polar Surface Area	26.3	H-Bond Acceptor Count :	2
XLogP3 :	-	H-Bond Donor Count :	0
SP3 :	0.13	Rotatable Bond Count :	0

Safety of [ 54109-03-4 ]

Signal Word:	Warning	Class	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 54109-03-4 ]

Downstream synthetic route of [ 54109-03-4 ]

[ 54109-03-4 ] Synthesis Path-Downstream 1~10

3
[ 7499-07-2 ]
[ 612-19-1 ]
[ 54109-03-4 ]
[ 13049-38-2 ]
3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
3-chloro-3'-ethyl-5-methyl-1,1'-biphenyl [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2018,vol. 360,p. 2644 - 2649

4
[ 7499-07-2 ]
[ 619-04-5 ]
[ 54109-03-4 ]
[ 4920-95-0 ]
3'-chloro-3,4,5'-trimethyl-1,1'-biphenyl [ No CAS ]
3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2018,vol. 360,p. 2644 - 2649

5
[ 7499-07-2 ]
[ 54109-03-4 ]
3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2018,vol. 360,p. 2644 - 2649

6
[ 7499-07-2 ]
[ 6245-57-4 ]
[ 54109-03-4 ]
[ 4741-62-2 ]
3,3'-dimethoxy-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
3,3'-dichloro-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]
3-chloro-3'-methoxy-5,5'-dimethyl-1,1'-biphenyl [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2018,vol. 360,p. 2644 - 2649

7
[ 201230-82-2 ]
[ 82386-90-1 ]
[ 54109-03-4 ]

Yield	Reaction Conditions	Operation in experiment
87%	With triethylamine; In acetonitrile; at 250℃; under 49403.3 Torr; for 16h;Autoclave;	General procedure: A magnetic stirring bar, 2-iodobenzyl alcohol (1a, 116.0 mg, 0.5 mmol), NEt3 (251.6 mg, 2.5 mmol), and MeCN (10 mL) were placed in a stainless steel autoclave equipped with an inserted Pyrex glass liner. The autoclave was closed, purged three times with carbon monoxide, pressurized with 65 atm of CO and then heated at 250 °C by salt bath with stirring for 16 h. After the reaction, excess CO was discharged at room temperature. The solvent was removed under reduced pressure, and the residue was purified by flash chromatography on silica gel (hexane/EtOAc = 3/1) to give 2a (60.4 mg, 91percent) as a white solid.

Reference： [1]Synthesis,2018,vol. 50,p. 3015 - 3021

8
[ 615-60-1 ]
[ 54109-03-4 ]

Reference： [1]Patent: CN105801539,2016,A

9
[ 95-47-6 ]
[ 54109-03-4 ]

Reference： [1]Patent: CN105801539,2016,A

10
[ 54109-03-4 ]
[ 571903-63-4 ]
1-(4-iodophenyl)-5-chloroisobenzofuran [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In tetrahydrofuran;Sonication;	100mL and 150mL o-xylene was added dichloromethane 1000mL four-necked flask, 3g of zinc powder, placed on a magnetic stirrer, to 200r / min speed stirring 10min; At the end of the flask was introduced chlorine gas, aeration rate was washed with 10mL / min, aeration time was 10min, the reaction was allowed to stand after the aeration 1h, with a concentration of 10percent sodium hydroxide solution to colorless, into a distillation apparatus, was heated to 70 , dichloromethane was removed by distillation, to precipitate a white solid; white solid was placed in the above-described three-necked flask equipped with a thermometer, a condenser and a stirrer was charged with 50g and 10g of glacial acetic acid and potassium permanganate 3g solid sodium hydroxide, transferred to the water bath temperature was raised to 70 deg.] C shaking bed oscillating reaction 1h, placed in a rotary evaporator, heated to 80 , rotary evaporated to remove acetic acid to give white crystals; added 200mL ethyl acetate equipped with a stirrer and a thermometer four flask, 50g and 20g of sodium chloride sodium hydrogen sulfite and 800mL of distilled water, start agitator 500r / min stirring speed at the stirring process, the white crystals obtained above was added 5 min the flask, stirring was continued for 10min; after stirring was complete, 300mL layered ethyl acetate, poured into a separatory funnel and the organic layer was separated, was added 20mL of 10percent concentration sodium hydroxide solution to wash pale yellow, ethyl acetate was distilled off; the mixture of ethyl acetate was distilled off after added 20g of iodine chlorobenzene and 3g magnesium, and 50mL tetrahydrofuran, placed in an ultrasonic shaker, the ultrasonic oscillating reaction 10min, ultrasonic frequency of 25KHz, ultrasonic power 100W, ultrasound was added 50mL reaction was continued concentration of 95percent ethanol solution and immediately transferred to an ice bath pot was allowed to stand at 4 6h, until no precipitation, transferred to a Buchner funnel after filtration to give 1- (4-iodophenyl) -5-chloro-isobenzofuran .

Reference： [1]Patent: CN105801539,2016,A.Location in patent: Paragraph 0007

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[ 54109-03-4 ]

Chlorides

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Ethyl 3-chlorobenzoate

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P321
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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 54109-03-4 ]

Quality Control of [ 54109-03-4 ]

Related Doc. of [ 54109-03-4 ]

Product Details of [ 54109-03-4 ]

Computed Properties of [ 54109-03-4 ]

Safety of [ 54109-03-4 ]

Application In Synthesis of [ 54109-03-4 ]

[ 54109-03-4 ] Synthesis Path-Downstream 1~10

Related Functional Groups of [ 54109-03-4 ]

Chlorides

Esters

Related Parent Nucleus of [ 54109-03-4 ]

Benzofurans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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Related Functional Groups of
[ 54109-03-4 ]

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[ 54109-03-4 ]