[ CAS No. 27563-65-1 ] {[proInfo.proName]}

Name: 27563-65-1|3-Chlorophthalic acid|98%
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Quality Control of [ 27563-65-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 27563-65-1 ]

Product Details of [ 27563-65-1 ]

CAS No. :	27563-65-1	MDL No. :	MFCD00100580
Formula :	C₈H₅ClO₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BKFXSOCDAQACQM-UHFFFAOYSA-N
M.W :	200.58	Pubchem ID :	96254
Synonyms :

Calculated chemistry of [ 27563-65-1 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	45.37
TPSA :	74.6 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.42 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.77
Log Po/w (XLOGP3) :	1.55
Log Po/w (WLOGP) :	1.74
Log Po/w (MLOGP) :	1.78
Log Po/w (SILICOS-IT) :	1.27
Consensus Log Po/w :	1.42

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.85

Water Solubility

Log S (ESOL) :	-2.27
Solubility :	1.08 mg/ml ; 0.00538 mol/l
Class :	Soluble
Log S (Ali) :	-2.73
Solubility :	0.377 mg/ml ; 0.00188 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.77
Solubility :	3.44 mg/ml ; 0.0171 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.48

Safety of [ 27563-65-1 ]

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 [ 27563-65-1 ]

* 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.

Upstream synthesis route of [ 27563-65-1 ]
Downstream synthetic route of [ 27563-65-1 ]

[ 27563-65-1 ] Synthesis Path-Upstream 1~5

1
[ 89-20-3 ]
[ 27563-65-1 ]
[ 118-45-6 ]
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Reference： [1] Patent: US2006/4223, 2006, A1, . Location in patent: Page/Page column 9
[2] Patent: US2006/4223, 2006, A1, . Location in patent: Page/Page column 9

2
[ 88-99-3 ]
[ 89-20-3 ]
[ 27563-65-1 ]

Reference： [1] Patent: CN105330633, 2016, A, . Location in patent: Paragraph 0030; 0031

3
[ 118-45-6 ]
[ 117-21-5 ]
[ 89-20-3 ]
[ 27563-65-1 ]

Reference： [1] Patent: US6670487, 2003, B1, . Location in patent: Page column 13-15

4
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[ 89-20-3 ]
[ 27563-65-1 ]

Reference： [1] Patent: US2006/4223, 2006, A1, . Location in patent: Page/Page column 7-8

5
[ 615-60-1 ]
[ 608-23-1 ]
[ 54109-03-4 ]
[ 52010-22-7 ]
[ 89-20-3 ]
[ 27563-65-1 ]

Reference： [1] Patent: US6670487, 2003, B1, . Location in patent: Page column 15

[ 27563-65-1 ] Synthesis Path-Downstream 1~14

1
[ 27563-65-1 ]
[ 117-21-5 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 129 - 134
[2]Chemische Berichte,1885,vol. 18,p. 1759
[3]Justus Liebigs Annalen der Chemie,1935,vol. 515,p. 23,28
[4]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1980,vol. 19,p. 473 - 486

2
[ 116668-72-5 ]
[ 27563-65-1 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium permanganate

Reference： [1]James; Woodcock [Journal of the Chemical Society, 1951, p. 3418,3419]

3
[ 608-23-1 ]
[ 27563-65-1 ]

Yield	Reaction Conditions	Operation in experiment
40%	With potassium permanganate; cetyltrimethylammonim bromide In water at 50 - 60℃; for 24h;
35%	With potassium permanganate; water; cetyltrimethylammonim bromide for 120h; Reflux;	7 Synthesis of XXIII: Synthesis of XXIII:To a stirred solution of compound XXII (10.0 g, 71.4 mmol) in water (125 mL) was added a catalytic amount of cetyl trimethylammonium bromide (0.01 g) and potassium permanganate (45.1 g, 280 mmol). The reaction mixture was heated to a reflux for 5 days. The reaction masswas filtered through a sintered funnel, whereupon the aqueous solution was acidified to pH 1. The aqueous solution was extracted with ethyl acetate. The organic layer was separated, dried using anhydrous Na2SO4 and concentrated to afford 3 -chlorophthalic acid as a yellow solid (XXIII; 5 g, 35% yield). ‘H NMR (400 MHz, DMSO-d6): ö 13.37 (bs, 2H), 7.90-7.88 (dd, J= 7.6 Hz, 1H), 7.77-7.75 (d, J= 7.6 Hz, 1H) 7.56-7.52 (t, J= 7.8 Hz, 1H). MS (M-1): 198.96

Reference： [1]Soucy; Favreau; Kayser [Journal of Organic Chemistry, 1987, vol. 52, # 1, p. 129 - 134]
[2]Current Patent Assignee: NORGINE BV - WO2015/97121, 2015, A1 Location in patent: Page/Page column 2; 93

4
[ 27563-65-1 ]
[ 52010-22-7 ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 129 - 134
[2]Journal of Organic Chemistry,1987,vol. 52,p. 129 - 134

5
[ 603-11-2 ]
[ 27563-65-1 ]

Reference： [1]Journal of the American Chemical Society,1901,vol. 23,p. 751

Yield	Reaction Conditions	Operation in experiment
		A 45.85 g sample of an oxidation mixture in acetic acid from the oxidation of 3- and 4-chloroxylene in the presence of a catalyst composition comprising cobalt and manganese was treated with 0.143 g. of oxalic acid dihydrate and brought to reflux for 30 minutes (this process removed about 90% of the cobalt and >50% of the manganese by precipitation as the oxalate salts). The solution was then passed through a glass frit under vacuum. The remainder of the solvent was removed by evaporation (down to 16.2 g.) and distillation (down to 14.0 g. residue). The remaining light yellow solid was combined with 60 ml. of water and 40 ml. of toluene, and mixed. There was some emulsion layer which was treated in a second wash with an additional 15 ml. each of water and toluene. The solvent was removed by evaporation of each fraction to leave 10.6 g. in the water fraction and 2.7 g. in the toluene fraction. The fractions were analyzed by GC. The analytical results are shown in Table 7.

8
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[ 89-20-3 ]
[ 27563-65-1 ]

Yield	Reaction Conditions	Operation in experiment
	In water; at 60℃; for 2h;	A 35 wt. % solution of crude chlorophthalic acid in water was prepared by adding appropriate amounts of 4- and 3-chlorophthalic anhydride (70/30 isomer ratio) along with a mixture of about 3 wt. % (based on crude chlorophthalic anhydride) of synthetic 4- and 7-chlorophthalide (produced by reduction of 3-chlorophthalic anhydride). This mixture was stirred at approximately 60 C. for 2 hours after which all of the chlorophthalic anhydride had hydrolyzed to chlorophthalic acid as shown by gas chromatographic (GC) analysis which showed no anhydride in the extracted organic phase. A number of vials were prepared each containing 5 milliliters (ml.) of an aqueous phase comprising a certain concentration of crude chlorophthalic acid (5 wt. % to 35 wt. %, based on the weight of the entire aqueous phase and, optionally, acetic acid (0 wt. % to 36 wt. %, based on the weight of the entire aqueous phase). Each vial was then treated with 5 ml. of either toluene, o-dichlorobenzene (ODCB), or ortho-xylene. The vials were then shaken vigorously in a mechanical shaker for 50 minutes at a specified temperature (22 C., 42 C., or 60 C.). The phases were allowed to separate over several hours (actual phase separation occurred much quicker than this) and then each phase was sampled using a pipette. No stable emulsions were observed under the conditions which were examined. The organic phase was analyzed directly by GC (using biphenyl internal standard, following silylation of the product mixture), while for the aqueous phase, water was evaporated and solid residue was redissolved in organic solvent before GC analysis. The analytical data were used to calculate an equilibrium constant, K, which represented the ratio of chlorophthalides mass fraction in the organic phase to that in the aqueous phase. The analytical data were also used to calculate a selectivity constant, beta, which represented the quotient of [(wt. fraction of chlorophthalides in xylene)/(wt fraction of chlorophthalic acids in xylene)] divided by the quotient of [(wt fraction of chlorophthalides in water)/(wt fraction of chlorophthalic acids in water)]. The data in Table 1 show results of extractions performed at 22 C. with no acetic acid present.

Reference： [1]Patent: US6670487,2003,B1 .Location in patent: Page column 13-15

9
[ 615-60-1 ]
[ 608-23-1 ]
[ 54109-03-4 ]
[ 52010-22-7 ]
[ 89-20-3 ]
[ 27563-65-1 ]

Yield	Reaction Conditions	Operation in experiment
	With oxygen; In acetic acid; xylene; at 35 - 40℃;Purification / work up;	Other experiments were carried out on actual oxidation mixtures from reactions of 3- and 4-chloroxylene with oxygen in acetic acid in the presence of a catalyst. In some cases the catalyst components were removed by precipitation, for example with oxalic acid, but the low levels of metals present in those samples still containing catalyst components did not affect the solubility characteristics of the organic species. At least a portion of oxidation reaction mixture was distilled in vacuo to remove acetic acid, leaving a solid residue which was dissolved in water. The extraction of a 30 wt. percent aqueous solution of 3- and 4-chloroxylene oxidation mixture was carried out with xylene. Six extractions were made starting with 130 kilograms (kg.) of solution extracting the aqueous phase with 155 kg. of xylene. At the beginning the temperature was approximately 35 C., and later was raised to 40 C. to present the crystallization of chlorophthalic acid. The results of extraction are shown Table 5. Unless noted, the values in the table represent relative percentages in the composition of the designated components (total percentage equals 100percent).

Reference： [1]Patent: US6670487,2003,B1 .Location in patent: Page column 15

10
[ 89-20-3 ]
[ 27563-65-1 ]
[ 118-45-6 ]
[ 117-21-5 ]

Yield	Reaction Conditions	Operation in experiment
	With acetic anhydride; at 122 - 136℃; for 2h;Product distribution / selectivity;	Example 2a (Cyclization Procedure Using Acetic Anhydride) The crude reaction product of Example 2 was divided into two identical fractions each weighing 1355 grams. One of the two fractions was subjected to distillation at atmospheric pressure (pot temperature 150 C.) until a total of about 952.9 grams of a mixture of water and acetic acid had been collected in the receiving vessel. The maximum head temperature was 122 C. When the head temperature reached 122 C. acetic anhydride (196.5 g, 1.93 mole) was added dropwise to the distillation flask and the resultant blue solution (no precipitate was observed) was heated at reflux (136 C.) for a two hour period. A mixture of acetic acid and acetic anhydride (198.6 grams) was then distilled off at atmospheric pressure (pot temperature 160 C.). Thereafter, vacuum was carefully applied to remove any remaining acetic anhydride, and the product chlorophthalic anhydride was distilled under vacuum. Two fractions were collected, the first distilled at 70-98 C. at a pressure in a range between 18 and 645 mbar. The first fraction (81.2 grams) contained residual acetic acid, acetic anhydride and product chlorophthalic anhydride. The second fraction distilled at between 136 and 144 C. at a pressure in a range between 3 and 5 mbar. The second fraction distilled at between 136 and 144 C. at a pressure in a range between 3 and 5 mbar. The second fraction consisted essentially of a mixture of 3- and 4-chlorophthalic anhydride (276.6 g, 1.52 mole, 86.6% of theory). Examples 3a-14a were carried out as described for Example 2. Data are gathered in Table 2.
	at 175℃; under 60.006 Torr; for 3h;Product distribution / selectivity;	The crude reaction product of Example 14 was sampled for analysis and then divided into two identical fractions (fractions ?a? and ?b?) each weighing 1351 grams. Fraction ?b? was charged to a 2-liter flask. Distillation was carried out at atmospheric pressure (maximum pot temperature 175 C.) until a total of about 1012.8 grams of distillate had been removed. Vacuum was then carefully applied until a pressure of about 80 mbar was achieved and the mixture was heated under vacuum for about 3 hours at 175 C. to effect ring closure and water removal. The crude anhydride was vacuum distilled to afford purified chlorophthalic anhydride (282.6 g, 88.5%) as a colorless solid.

Reference： [1]Patent: US2006/4223,2006,A1 .Location in patent: Page/Page column 9
[2]Patent: US2006/4223,2006,A1 .Location in patent: Page/Page column 9

11
[ 615-60-1 ]
[ 608-23-1 ]
[ 89-20-3 ]
[ 27563-65-1 ]

Yield	Reaction Conditions	Operation in experiment
	With oxygen; acetic acid;cobalt(II) acetate; manganese(II) acetate; sodium bromide; at 152 - 190℃; under 14251.4 Torr; for 0.5 - 2h;Product distribution / selectivity;	A 3.5 liter reaction vessel equipped as described above was charged with a 95:5 mixture of 4-chloro-o-xylene and 3-chloro-o-xylene (492.1 g, 3.50 mol), acetic acid (1925 mL, 32.06 mol), cobaltous acetate tetrahydrate (13.1 g, 0.0526 mol, 1.50 mole % based on 3.5 moles of 3- and 4-chloro-o-xylene), manganous acetate tetrahydrate (6.4 g, 0.0261 mol, 0.75 mole % based on 3.5 moles of 3- and 4-chloro-o-xylene), sodium bromide (0.6 g, 0.0060 mol, 0.17 mole % based on 3.5 moles of 3- and 4-chloro-o-xylene), and sodium acetate (2.9 g, 0.0354 mol, 1.01 mole % based on 3.5 moles of 3- and 4-chloro-o-xylene). The reaction vessel was sealed and pressurized with nitrogen to 19 bar and then heated to about 160 C. Compressed air was then introduced into the reaction mixture at a rate such that the concentration of oxygen in the gas emerging from the reactor gas outlet valve was about 0.5%. The reaction temperature was maintained at about 160 C. for 1 hour and was then raised to about 175 C. and was maintained at that temperature until ?oxygen breakthrough? was noted. Oxygen breakthrough marked the beginning of the post-oxidation phase of the reaction. The compressed air being fed to the reactor was then diluted with sufficient nitrogen to limit the concentration of oxygen in the gas emerging from the reactor gas outlet valve to less than about 2% . The reaction temperature was raised to about 190 C. and maintained at that temperature throughout the post-oxidation phase which lasted approximately three hours. The reaction mixture was then assayed by HPLC and GC and found to contain the product diacids as a mixture of 3-chlorophthalic acid and 4-chlrorophthalic acid containing less than 10,000 ppm chlorobenzoic acids. Conversion of starting material to products was in excess of 90 percent. Examples 2-14 Data for a series of oxidation reactions conducted as described in Example 1 together with modifications to reaction parameters indicated are gathered in Table 1. The data demonstrate the effectiveness of the method of the present invention to produce high yields of chlorophthalic acid while limiting the amount of chlorobenzoic acid by-products. In Table 1 the header ?Variation? refers to the reaction parameter being varied in the Example, ?standard? refers to the amounts of reagents and reaction conditions used in Example 2 which are given below. 19 barabs nitrogen pressure, stirrer speed 800 rpm. Temperature 152 C. at initial oxygen introduction. Cooling begun immediately upon reaction initiation to maintain an internal temperature of about 160 C. After 60 min the temperature was raised to 175 C. At the beginning of the post-oxidation phase of the reaction the temperature was raised to 190 C for a period of 60 minutes. Still referring to Table 1, the term ?air input? refers to the variation in which the reaction was ?oxygen limited? meaning that the gas flow rate was initially 900 l/h (scaled value 180 l/h), much slower at the end of the reaction (?EOR?). The heading ?Oxidation Conds.? refers to the conditions employed in the oxidation reaction which were either (1) the ?standard? conditions as given for Example 2 or the ?oxygen limited? reaction conditions of Examples 4 and 5. The heading ?Post-Oxidation Conds.? refers to the duration (time) and temperature of the reaction following ?oxygen breakthrough?. The heading ?Cl-phthalic acid? refers to the total amount of 3- and 4-chlorophthalic acid present in the crude product mixture at the end of the oxidation reaction. The values given in the column headed ?Cl-phthalic acid? are the combined ?area percent? of the peaks attributed to 3- and 4-chlorophthalic acid in a gas chromatogram of the crude product mixture. The heading ?Isomeric CIBA's? refers to the total amount of 2-, 3-, and 4-chlorobenzoic acids present in the crude reaction mixture and expressed in parts per million (ppm). 2-chlorobenzoic acid, 3-chlorobenzoic acid, and 4-chlorobenzoic acid are believed to arise by decarboxylation of 3-chlorophthalic acid and 4-chlorophthalic acid.

Reference： [1]Patent: US2006/4223,2006,A1 .Location in patent: Page/Page column 7-8

12
[ 4329-78-6 ]
[ 27563-65-1 ]
[ 7646-85-7 ]
[Zn₂(1H-3,5-bis(4-pyridyl)-1,2,4-itriazole)₂(3-Cl-1,2-benzenedicarboxylate)₂]_n [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
44%	With sodium hydroxide In ethanol; water at 140℃; for 72h; Sealed tube;	2.1. Preparation of [Zn₂L₂(4,4′-bpt)₂]_n (1) General procedure: A mixture containing ZnCl2 (68 mg, 0.5 mmol), 4,4′-bpt (112 mg, 0.5 mmol), H2L (100 mg, 0.5 mmol), NaOH (40 mg, 1 mmol), water (10 mL) and ethanol (5 mL) was sealed in Teflon-lined stainless steel vessel (23 mL), heated at 140 °C for 3 days and then cooled to room temperature at a rate of 5 °C/h. Colorless block crystals of 1 (yield 44%, based on Zn) were obtained and picked out, washed with distilled water and dried in air. Elemental analysis for C40H24Cl2N10O8Zn2 (%) Calcd: C, 49.28; H, 2.46; N, 14.37; Cl, 7.29. Found: C, 49.69; H, 2.72; N, 14.48; Cl, 7.23. IR (KBr, cm-1): 3054s, 1624w, 1497s, 1450m,1371w, 1031w, 844m, 735m, 554s.

Reference： [1]Yao, Peng-Fei; Ye, Chao-Jing; Huang, Fu-Ping; Bian, He-Dong; Yu, Qing; Hu, Kun [Journal of Coordination Chemistry, 2013, vol. 66, # 9, p. 1591 - 1601]

13
[ 88-99-3 ]
[ 89-20-3 ]
[ 27563-65-1 ]

Yield	Reaction Conditions	Operation in experiment
	With chlorine; In water; for 3h;	The phthalic acid (1mmol) dissolved in 20 ml of acid in the aqueous solution, the stirring 1.5 hours later, into the chlorine gas, reaction 3 hours, all the solvent is pumped, by adding ethyl acetate 50 ml, the resulting solution with saturated salt water washing 3 times, the organic phase after separation, the aqueous phase is extracted with twice ethyl acetate (50 ml). The combined organic phase, drying agent, filtration of the drying agent, the solvent evaporation to dryness, to obtain the corresponding ortho and meta-substituted phthalic acid chloride (yield 100%, GC purity (two isomers) 99%).

Reference： [1]Patent: CN105330633,2016,A .Location in patent: Paragraph 0030; 0031

14
[ 27563-65-1 ]
[ 37418-88-5 ]

Yield	Reaction Conditions	Operation in experiment
172.0 g	Stage #1: 3-chlorobenzene-1,2-dicarboxylic acid With copper(l) iodide; potassium hydroxide In N,N-dimethyl-formamide at 80℃; for 8h; Stage #2: With phosphoric acid In N,N-dimethyl-formamide at 100℃; for 7.5h;	4 A three necked flask was charged with 3-chlorophthalic acid (200.0 g, 1.0 mol) and N, N-dimethylformamide(1000 mL) and stirring was started;Potassium hydroxide (235. 0 g, 4.2 mol) and cuprous iodide (1.0 g, 0.005 mol) were added and the reaction was heated to 80 ° C for 8 hours.TLC monitoring (methanol: dichloromethane = 1: 1, v / v) to complete reaction, drop to room temperature, filter;The filtrate with 6. 0 mol / L hydrochloric acid to adjust the pH value of between 1.0 to 2.0, the filtrate transferred to three bottles, stirring the case, adding poly-phosphoric acid (337. 9g, 1. Omol), heated to 100 ° C insulation reaction 7. 5 hours;TLC (methanol: dichloromethane = 1: 1, v / v) until the reaction was complete and was reduced to room temperature; extracted with methyl tert-butyl ether (1000 mLX3), combined organic phase dried over anhydrous magnesium sulfate, filtered To give 172.0 g of 3-hydroxyphthalic anhydride as a white solid, with a conversion of 86.0% and an HPLC purity of 96.0%. (M.p. 199-201 ° C)

Reference： [1]Current Patent Assignee: JINAN XUANHONG BIOLOG PHARMACEUTICAL - CN105330634, 2016, A Location in patent: Paragraph 0034; 0035

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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.
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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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. 27563-65-1 ] {[proInfo.proName]}

Quality Control of [ 27563-65-1 ]

Related Doc. of [ 27563-65-1 ]

Product Details of [ 27563-65-1 ]

Calculated chemistry of [ 27563-65-1 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 27563-65-1 ]

Application In Synthesis of [ 27563-65-1 ]

[ 27563-65-1 ] Synthesis Path-Upstream 1~5

[ 27563-65-1 ] Synthesis Path-Downstream 1~14

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry