[ CAS No. 519018-52-1 ] {[proInfo.proName]}

Name: 519018-52-1|7-Bromobenzofuran-3(2H)-one|98%
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Quality Control of [ 519018-52-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 519018-52-1 ]

Product Details of [ 519018-52-1 ]

CAS No. :	519018-52-1	MDL No. :	MFCD03160589
Formula :	C₈H₅BrO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MGCVLLXCJNKGCS-UHFFFAOYSA-N
M.W :	213.03	Pubchem ID :	4137896
Synonyms :

Calculated chemistry of [ 519018-52-1 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.12
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	43.91
TPSA :	26.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.07 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.94
Log Po/w (XLOGP3) :	2.16
Log Po/w (WLOGP) :	2.02
Log Po/w (MLOGP) :	1.47
Log Po/w (SILICOS-IT) :	2.85
Consensus Log Po/w :	2.09

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.93
Solubility :	0.253 mg/ml ; 0.00119 mol/l
Class :	Soluble
Log S (Ali) :	-2.34
Solubility :	0.963 mg/ml ; 0.00452 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.44
Solubility :	0.0781 mg/ml ; 0.000366 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.88

Safety of [ 519018-52-1 ]

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 [ 519018-52-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 519018-52-1 ]

[ 519018-52-1 ] Synthesis Path-Downstream 1~20

1
[ 519018-52-1 ]
[ 593-56-6 ]
[ 1258400-10-0 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium acetate; In methanol; at 20.0℃; for 26.0h;Reflux;	Reference Example 687-bromo-2, 3-dihydro-l-benzofuran-3-amine; [0397]A mixed solution of 7-bromo-l-benzofuran-3 (2H) -one (0.521 g, 2.45 mmol) , 0-methylhydroxyammonium chloride (0.306 g, 3.67 mmol) and sodium acetate (0.301 g, 3.67 mmol) in methanol (12 mL) was heated under reflux for 10 hr, and the mixture was stirred at room temperature for 16 hr. The reaction mixture was concentrated' under reduced pressure, the residue was poured into saturated aqueous sodium hydrogen carbonate, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over sodium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (hexane: ethyl acetate = 100:0 - 80:20) to give 7-bromo-l-benzofuran-3 (2H) -one O- methyloxime (0.468 g, yield 79%) as a yellow solid. To a solution of 7-bromo-l-benzofuran-3 (2H) -one O-methyloxime (0.468 g, 1.93 mmol) obtained above in tetrahydrofuran (9 mL) was slowly added dropwise borane-tetrahydrofuran solution (1 M, 5.80 mL, 5.80 mmol) at room temperature, and the mixture was heated under reflux under a nitrogen atmosphere for 3 hr. The reaction mixture was cooled, ice water was slowly added, 1 M hydrochloric acid was added, and the mixture was stirred at8O0C for 1.5 hr. The reaction mixture was allowed to cool, 28% aqueous ammonia solution was added to alkalify the solution, and the mixture was extracted with ethyl acetate. The extract was dried over sodium sulfate, and concentrated under reduced pressure. The residue (0.402 g) was dissolved in diethyl ether (4 mL) , and 4 M hydrochloric acid-ethyl acetate solution (0.480 mL) was slowly added. The precipitated solid was collected by filtration, and washed with diethyl ether to give 7-bromo-2, 3-dihydro-l-benzofuran-3-amine hydrochloride (0.434 g) as a beige solid. The solid obtained above was dissolved in28% aqueous ammonia solution, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over sodium sulfate, and concentrated under reduced pressure to give the title compound (0.366 g, yield 89%) as a yellow solid.1H NMR (300 MHz, DMSO-d6) delta 2.15 (2H, br s), 4.05-4.16 (IH, m) , 4.58-4.72 (2H, m) , 6.78-6.87 (IH, m) , 7.28-7.38 (2H, m) .

Reference： [1]Patent: WO2010/143733,2010,A1 .Location in patent: Page/Page column 160-161

2
[ 519018-52-1 ]
[ 1404230-46-1 ]

Yield	Reaction Conditions	Operation in experiment
95 mg	With chloro[(1S,2S)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine]-(mesitylene) ruthenium (II); formic acid; triethylamine; In dichloromethane; at 20.0℃; for 3.0h;	Triethylamine (0.2 ml) was added to formic acid (63 mul), to the resultant mixture, a solution in methylene chloride (2.1 ml) of <strong>[519018-52-1]7-bromo-2,3-dihydrobenzofuran-3-one</strong> (0.10 g) that is commercially available or can be obtained by a publicly known method was added, chloro[(1S,2S)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine]-(mesitylene) ruthenium (II) (8.8 mg) was added, and the resultant mixture was stirred at room temperature for 3 hours. To the resultant mixture, ethyl acetate and water were added, followed by extracting the resultant mixture with ethyl acetate, and the organic phase was washed with a saturated saline, and then was dried over anhydrous sodium sulfate. From the organic phase, the solvent was distilled off under reduced pressure, followed by purifying the resultant residue by silica gel column chromatography (eluate; n-hexane:ethyl acetate=5:1 to 3:1), and from the resultant, the solvent was distilled off under reduced pressure to obtain the subject compound (95 mg) as pale orange oil.

Reference： [1]Patent: US2012/277150,2012,A1 .Location in patent: Paragraph 0951

3
[ 519018-52-1 ]
[ 70-55-3 ]
N-(7-bromobenzofuran-3-yl)-4-methylbenzenesulfonamide [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2018,vol. 360,p. 4168 - 4177

4
[ 519018-52-1 ]
[ 104-87-0 ]
C₁₆H₁₁BrO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53%	With aluminum oxide; In dichloromethane; at 20.0℃; for 24.0h;	General procedure: In a round bottom flask, 1 mmol of the appropriate benzofuranone was mixed with 2mmol of p-tolualdehyde in approximately 3.5 g of neutral alumina and 5 mL ofdichloromethane. The reaction was stirred at room temperature for 24 hours. Thealumina was filtered out and the mixture concentrated in vacuo. Two equivalents ofisonicotinic acid hydrazide was added to the concentrated mixture in 5 mL/mmol of bothdichloromethane and dimethylformamide and left to stir at room temperature for another24 hours to remove any excess aldehyde. In some cases, further purification methodswere used and/or the ratio of the hydrazide scavenger and the solvents were changed toincrease the scavenger?s effectiveness after air exposure. Exceptions are noted below.The aurone product was extracted using a mixture of ethyl acetate and 1M HCl exceptwhere noted. The organic layer was concentrated and subjected to NMR and GC/MSanalysis for purity.

Reference： [1]Beilstein Journal of Organic Chemistry,2019,vol. 15,p. 1781 - 1785

5
[ 519018-52-1 ]
[ 121-33-5 ]
(2Z)-7-bromo-2-[(4-hydroxy-3-methoxyphenyl)methylidene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
6%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

Reference： [1]Bdzhola, V. G.; Bilokin, Y. V.; Borysenko, I. P.; Lukashov, S. S.; Protopopov, M. V.; Prykhod'ko, A. O.; Starosyla, S. A.; Vdovin, V. S.; Yarmoluk, S. M. [Bioorganic Chemistry, 2020, vol. 102]

6
[ 519018-52-1 ]
[ 100-83-4 ]
(2Z)-7-bromo-2-[(3-hydroxyphenyl)methylidene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
13%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

7
[ 519018-52-1 ]
[ 123-08-0 ]
(2Z)-7-bromo-2-[(4-hydroxyphenyl)methylidene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
8%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

8
[ 2420-16-8 ]
[ 519018-52-1 ]
(2Z)-7-bromo-2-[(3-chloro-4-hydroxyphenyl)methylidene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
12%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

9
[ 519018-52-1 ]
[ 619-66-9 ]
4-[(2Z)-7-bromo-3-oxo-benzofuran-2-ylidene]methyl}benzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

10
[ 519018-52-1 ]
[ 2973-78-6 ]
(2Z)-7-bromo-2-[(3-bromo-4-hydroxyphenyl)methylidene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
9%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

11
[ 3011-34-5 ]
[ 519018-52-1 ]
(2Z)-7-bromo-2-[(4-hydroxy-3-nitrophenyl)methylidene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
33%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

12
[ 519018-52-1 ]
[ 616-76-2 ]
5-[(2Z)-7-bromo-3-oxo-benzofuran-2-ylidene]methyl}-2-hydroxybenzoic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
10%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

13
[ 6635-20-7 ]
[ 519018-52-1 ]
(2Z)-7-bromo-2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
29%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

14
[ 519018-52-1 ]
[ 704-13-2 ]
(2Z)-7-bromo-2-[(3-hydroxy-4-nitrophenyl)methylene]benzofuran-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
21%	With hydrogenchloride In water; isopropyl alcohol at 80℃;	4.1.4. General procedure of synthesis of aurones 9-15 General procedure: 100 mg of 1-benzofuran-3(2H)-ones, equimolar amount of corresponding substituted benzaldehyde and 1 drop of conc. hydrochloric acid were mixed with 1-3 ml of isopropanol. Mixture was heated on the water bath at 80 °C during 2-8 h. In the case of 1-benzofuran-3(2H)-ones 28 and 29 mixtures were kept at 80 °C for 16 h. Yellow, red or brown precipitates were filtered and washed with ethyl acetate. If obtained products contained impurities (in the most cases of starting aldehyde)- they were recrystallized from 0.2 to 1 ml DMF and washed with ethyl acetate.

15
[ 28165-45-9 ]
[ 519018-52-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: potassium carbonate / acetone / 56 °C 2: potassium <i>tert</i>-butylate / tetrahydrofuran / 1 h / 20 °C 3: hydrogenchloride / water 4: hydrogenchloride / methanol; water / 100 °C

16
C₁₀H₆BrO₄^(1-)*K⁽¹⁺⁾ [ No CAS ]
[ 519018-52-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: hydrogenchloride / water 2: hydrogenchloride / methanol; water / 100 °C

17
methyl 3-bromo-2-(2-methoxy-2-oxo-ethoxy)benzoate [ No CAS ]
[ 519018-52-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: potassium <i>tert</i>-butylate / tetrahydrofuran / 1 h / 20 °C 2: hydrogenchloride / water 3: hydrogenchloride / methanol; water / 100 °C

18
methyl 7-bromo-3-oxo-benzofuran-2-carboxylate [ No CAS ]
[ 519018-52-1 ]

Yield	Reaction Conditions	Operation in experiment
27%	With hydrogenchloride In methanol; water at 100℃;	4.1.3. General procedure of synthesis of 7-halogenobenzofuran-3-ones 22 and 23 General procedure: 0.05 mol of 20 or 21 was diluted with 25 ml of 19% hydrochloricacid, 5 ml of methanol and refluxed for 30 min until disappearance ofsolid 20 or 21. Then the reaction flask was cooled with cold water, andcrude product was extracted with 3 × 20 ml of ethyl acetate and immediatelypurified with column chromatography on silica gel in dichloromethane: hexane (70:30. Rf = 0.2-0.25).

19
[ 519018-52-1 ]
[ 105-07-7 ]
(Z)-4-((7-bromo-3-oxobenzofuran-2(3H)-ylidene)methyl)benzonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89%	With hydrogenchloride; acetic acid at 20℃;	1. General procedure for the synthesis of aurones0 General procedure: All the aurones (5a-46a) utilized for the triazole formation were synthesized based on the literature.1 0.57 mmol of benzofuranone was dissolved in 5 mL of glacial acetic acid in a 3-dram glass vial containing a magnetic stir bar. To this solution 0.63 (1.1 equivalent) of aldehyde and 3 drops (0.2 mL) of concentrated HCl were added and stirred at room temperature for 30 min to 6 hours. In most cases reaction resulted in a precipitate normally after 30 min indicating the completion of the reaction. After the reaction was complete, it was poured into ice cold DI water. The precipitate obtained was filtered and the residue was washed for multiple times with water and allowed to air dry. No further purification was required. For some of the aurones which did not precipitate out efficiently, the water diluted reaction mixture was neutralized with saturated NaHCO3 and extracted with ethyl acetate. Among the synthesized aurones, 5a-10a, 12a-17a, 19a-29a, and 31a are known compounds and were characterized by comparing 1H and 13C NMR with those reported in the literatures.2

Reference： [1]Kafle, Arjun; Bhattarai, Shrijiana; Handy, Scott T. [Synthesis, 2020, vol. 52, # 16, p. 2337 - 2346]

20
[ 519018-52-1 ]
[ 105-07-7 ]
4-[5-(3-bromo-2-hydroxybenzoyl)-2H-1,2,3-triazol-4-yl]benzonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: acetic acid; hydrogenchloride / 20 °C 2: sodium azide / 0.5 h / 120 °C

Reference： [1]Kafle, Arjun; Bhattarai, Shrijiana; Handy, Scott T. [Synthesis, 2020, vol. 52, # 16, p. 2337 - 2346]

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P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
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.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
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. 519018-52-1 ] {[proInfo.proName]}

Quality Control of [ 519018-52-1 ]

Related Doc. of [ 519018-52-1 ]

Product Details of [ 519018-52-1 ]

Calculated chemistry of [ 519018-52-1 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 519018-52-1 ]

Application In Synthesis of [ 519018-52-1 ]

[ 519018-52-1 ] Synthesis Path-Downstream 1~20

Related Functional Groups of [ 519018-52-1 ]

Bromides

Ketones

Related Parent Nucleus of [ 519018-52-1 ]

Benzofurans

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 519018-52-1 ]

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[ 519018-52-1 ]