[ CAS No. 1314978-36-3 ]

Name: 1314978-36-3|5-Chloropyridazin-3-amine|98%
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Quality Control of [ 1314978-36-3 ]

COA NMR CNMR HPLC LC-MS

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SDS

Alternatived Products of [ 1314978-36-3 ]

Product Details of [ 1314978-36-3 ]

CAS No. :	1314978-36-3	MDL No. :	MFCD19214495
Formula :	C₄H₄ClN₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	129.55 g/mol	Pubchem ID :	-
Synonyms :

Calculated chemistry of of [ 1314978-36-3 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	31.45
TPSA :	51.8 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.06
Log Po/w (XLOGP3) :	0.12
Log Po/w (WLOGP) :	0.72
Log Po/w (MLOGP) :	0.36
Log Po/w (SILICOS-IT) :	0.98
Consensus Log Po/w :	0.65

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.27
Solubility :	6.9 mg/ml ; 0.0532 mol/l
Class :	Very soluble
Log S (Ali) :	-0.76
Solubility :	22.3 mg/ml ; 0.172 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.87
Solubility :	1.74 mg/ml ; 0.0135 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.7

Safety of [ 1314978-36-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H320-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 1314978-36-3 ]

* 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 [ 1314978-36-3 ]

[ 1314978-36-3 ] Synthesis Path-Downstream 1~6

1
[ 107-20-0 ]
[ 1314978-36-3 ]
[ 1383481-11-5 ]

Yield	Reaction Conditions	Operation in experiment
80%	In lithium hydroxide monohydrate; isopropanol for 3h; Reflux;	1.1 Step 1: Synthesis of Compound 7-chloroimidazo[1,2-b]pyridazine 5-chloropyridazin-3-amine (0.84g, 6.5mmol) and 40% aqueous solution of chloroacetaldehyde (2.55g, 19.5mmol) were added in 15mL isopropanol. The mixture was heated to reflux for 3 hrs. The reaction solution was rotary evaporated to remove the solvent, diluted with 30 mL water, and extracted with EtOAc (20mL*3). The organic phases were combined, washed with 20 mL saturated brine, dried over anhydrous sodium sulfate, and filtered. The filtrate was concentrated, and separated by silica gel column chromatography to afford a pale yellow solid, 0.79g, yield: 80%. ESI-MS: 154[M++1].
80%	In lithium hydroxide monohydrate; isopropanol for 3h; Reflux;	1.1 Step 1: Synthesis of Compound 7-chloroimidazo[1,2-b]pyridazine 5-chloropyridazin-3-amine (0.84g, 6.5mmol) and 40% aqueous solution of chloroacetaldehyde (2.55g, 19.5mmol) were added in 15mL isopropanol. The mixture was heated to reflux for 3 hrs. The reaction solution was rotary evaporated to remove the solvent, diluted with 30 mL water, and extracted with EtOAc (20mL*3). The organic phases were combined, washed with 20 mL saturated brine, dried over anhydrous sodium sulfate, and filtered. The filtrate was concentrated, and separated by silica gel column chromatography to afford a pale yellow solid, 0.79g, yield: 80%. ESI-MS: 154[M++1].
59%	In isopropanol at 100℃; for 16h;	2F 7-chloroimidazo[1,2-b]pyridazine A solution of 5-chloropyridazin-3-amine (14.4 g, 111 mmol) and chloroacetaldehyde (81 mL, 556 mmol) in 2-propanol (150 mL) was heated at 100 °C for 16 h. The mixture was cooled to room temperature and concentrated. The residue was added water (400 mL) and washed with EtOAc (3x500 mL). The aqueous layer was taken to pH 8 with saturated NaHCO3 solution and was extracted with EtOAc (3x50mL). The combined organic layers were washed with brine, dried over Na2SO4, filtered and concentrated. The material was purified via column chromatography (40% EtOAc/PE) to obtain 7-chloroimidazo[1,2-b]pyridazine (10.2, 59% yield) as a brown solid. ‘HNMR:(400MHz, CDC13) ö 8.27 (s, 1H), 7.96 (s, 2H), 7.78 (s, 1H); LCMS 154.3 (M+H).

12.4%	In lithium hydroxide monohydrate; isopropanol at 95℃; for 5h;	5.3 3. Synthesis of 7-chloroimidazo[1,2-b]pyridazine (10-4) Into a 250-mL round-bottom flask, was placed 5-chloropyridazin-3-amine (5-1, 15.00 mL), chloroacetaldehyde (17.5 mL), H2O (17.5 mL), i-PrOH (25 mL). The resulting solution was stirred for 5 hr at 95 °C in an oil bath. The resulting mixture was concentrated. The pH value of the solution was adjusted to 9 with NaOH. The resulting solution was extracted with 3x50 mL of ethyl acetate, the organic layer was washed with 3 x50 ml of brine. The organic phase was collected and dried over anhydrous sodium sulfate and concentrated. The residue was applied onto a silica gel column with ethyl acetate/petroleum ether (2:3). This resulted in 2.2 g (12.4%) of 7- chloroimidazo[1,2-b]pyridazine (10-4) as yellow oil.
12.4%	In lithium hydroxide monohydrate; isopropanol at 95℃; for 5h;	5.3 3. Synthesis of 7-chloroimidazo[1,2-b]pyridazine (10-4) Into a 250-mL round-bottom flask, was placed 5-chloropyridazin-3-amine (5-1, 15.00 mL), chloroacetaldehyde (17.5 mL), H2O (17.5 mL), i-PrOH (25 mL). The resulting solution was stirred for 5 hr at 95 °C in an oil bath. The resulting mixture was concentrated. The pH value of the solution was adjusted to 9 with NaOH. The resulting solution was extracted with 3x50 mL of ethyl acetate, the organic layer was washed with 3 x50 ml of brine. The organic phase was collected and dried over anhydrous sodium sulfate and concentrated. The residue was applied onto a silica gel column with ethyl acetate/petroleum ether (2:3). This resulted in 2.2 g (12.4%) of 7- chloroimidazo[1,2-b]pyridazine (10-4) as yellow oil.
	In isopropanol at 90℃; for 5h;	30.1 A mixture of 3,5-dichloropyridazine (1.49 g, 10.0 mmol, Maybridge, MO08501), benzophenone imine (2.01 g, 11.1 mmol, Aldrich, Cat. No. 293733), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (208 mg, 0.360 mmol), tris(dibenzylideneacetone)dipalladium(0) (165 mg, 0.180 mmol) and 1,4-dioxane (30 mL) was degassed and recharged with nitrogen for three times, and was heated and stirred at 90° C. overnight. After cooling, the mixture was filtered through a pad of silica gel, and washed with THF. [LCMS (M+H)+: m/z=294.1/296.0 corresponds to 5-chloro-N-(diphenylmethylene)pyridazin-3-amine]. The filtrate was treated with 3 N HCl aq. (6 ml) at RT and stirred for 30 min. The mixture was adjusted with NaOH (2 N) to pH=7. The resulting mixture was concentrated under reduced pressure to about the volume of 30 mL. [LCMS (M+H)+: m/z=130.1/132.0 corresponds to 5-chloropyridazin-3-amine]. Isopropanol (50 mL) and chloroacetaldehyde (10.0 mL, 78.7 mmol) was added to the solution. The mixture was heated and stirred at 90° C. for 5 h. After cooling, the mixture was concentrated under reduced pressure. The residue was diluted with ethyl acetate, and extracted with water. The combined aqueous layers were adjusted to about pH=9 with 1 N NaOH aq. Solution. The resulting solution was extracted with ethyl acetate (3×30 mL). The combined organic layers were washed with brine, dried over MgSO4, filtered and concentrated under reduced pressure to afford the desired product (0.988 g, 64.3%) which was directly used in next step reaction without further purification. LCMS (M+H)+: m/z=153.9/155.9.
	With Sodium hydrogenocarbonate In ethanol at 80℃; for 4h;	15.C Step C.7-chloroimidazo[1,2-b]pyridazine To a solution of 5-chloropyridazin-3-amine (1.30 g, 10.0 mmol) and sodium bicarbonate (1.69 g, 20.07 mmol) in ethanol (20 mL) was added 2-chloroacetaldehyde (14.07 g, 71.70 mmol, 11.53 mL, 40% purity). The resulting reaction mixture was stirred at 80 °C for 4 hours, and was then cooled to room temperature and concentrated under reduced pressure. The resulting residue was diluted with water (20 mL) and extracted with ethyl acetate (3 x 30 mL). The combined organic layers were washed with saturated aqueous sodium chloride solution (20 mL), dried over sodium sulfate, filtered, and concentrated under reduced pressure. The resulting crude product was purified by flash chromatography on silica gel (0 - 40% ethyl acetate in petroleum ether) to provide the title compound: LCMS m/z 154.0 [M+H]+.
	With Sodium hydrogenocarbonate In ethanol at 80℃; for 4h;	15.C Step C.7-chloroimidazo[1,2-b]pyridazine To a solution of 5-chloropyridazin-3-amine (1.30 g, 10.0 mmol) and sodium bicarbonate (1.69 g, 20.07 mmol) in ethanol (20 mL) was added 2-chloroacetaldehyde (14.07 g, 71.70 mmol, 11.53 mL, 40% purity). The resulting reaction mixture was stirred at 80 °C for 4 hours, and was then cooled to room temperature and concentrated under reduced pressure. The resulting residue was diluted with water (20 mL) and extracted with ethyl acetate (3 x 30 mL). The combined organic layers were washed with saturated aqueous sodium chloride solution (20 mL), dried over sodium sulfate, filtered, and concentrated under reduced pressure. The resulting crude product was purified by flash chromatography on silica gel (0 - 40% ethyl acetate in petroleum ether) to provide the title compound: LCMS m/z 154.0 [M+H]+.

Reference： [1]Current Patent Assignee: SHENZHEN TARGETRX INC - EP3904355, 2021, A1 Location in patent: Paragraph 0131-0133
[2]Current Patent Assignee: SHENZHEN TARGETRX INC - EP3904355, 2021, A1 Location in patent: Paragraph 0131-0133
[3]Current Patent Assignee: BRISTOL-MYERS SQUIBB CO - WO2016/210037, 2016, A1 Location in patent: Page/Page column 39
[4]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - WO2021/242581, 2021, A1 Location in patent: Page/Page column 137-139
[5]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - WO2021/242581, 2021, A1 Location in patent: Page/Page column 137-139
[6]Current Patent Assignee: INCYTE CORP - US2012/165305, 2012, A1 Location in patent: Page/Page column 34
[7]Current Patent Assignee: KUROME THERAPEUTICS; CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER; GOVERNMENT OF THE UNITED STATES - WO2022/132936, 2022, A1 Location in patent: Paragraph 00516; 00518
[8]Current Patent Assignee: KUROME THERAPEUTICS; CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER; GOVERNMENT OF THE UNITED STATES - WO2022/132936, 2022, A1 Location in patent: Paragraph 00516; 00518

2
[ 1383481-12-6 ]
[ 1314978-36-3 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride In tetrahydrofuran; water monomer at 20℃; for 0.5h;	30.1 A mixture of 3,5-dichloropyridazine (1.49 g, 10.0 mmol, Maybridge, MO08501), benzophenone imine (2.01 g, 11.1 mmol, Aldrich, Cat. No. 293733), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (208 mg, 0.360 mmol), tris(dibenzylideneacetone)dipalladium(0) (165 mg, 0.180 mmol) and 1,4-dioxane (30 mL) was degassed and recharged with nitrogen for three times, and was heated and stirred at 90° C. overnight. After cooling, the mixture was filtered through a pad of silica gel, and washed with THF. [LCMS (M+H)+: m/z=294.1/296.0 corresponds to 5-chloro-N-(diphenylmethylene)pyridazin-3-amine]. The filtrate was treated with 3 N HCl aq. (6 ml) at RT and stirred for 30 min. The mixture was adjusted with NaOH (2 N) to pH=7. The resulting mixture was concentrated under reduced pressure to about the volume of 30 mL. [LCMS (M+H)+: m/z=130.1/132.0 corresponds to 5-chloropyridazin-3-amine]. Isopropanol (50 mL) and chloroacetaldehyde (10.0 mL, 78.7 mmol) was added to the solution. The mixture was heated and stirred at 90° C. for 5 h. After cooling, the mixture was concentrated under reduced pressure. The residue was diluted with ethyl acetate, and extracted with water. The combined aqueous layers were adjusted to about pH=9 with 1 N NaOH aq. Solution. The resulting solution was extracted with ethyl acetate (3×30 mL). The combined organic layers were washed with brine, dried over MgSO4, filtered and concentrated under reduced pressure to afford the desired product (0.988 g, 64.3%) which was directly used in next step reaction without further purification. LCMS (M+H)+: m/z=153.9/155.9.
	With hydrogenchloride In water monomer at 20℃; for 1h; Inert atmosphere;	5.2 2. Synthesis of 5-chloropyridazin-3-amine Into a 50-mL 3-necked round-bottom flask purged and maintained with an inert atmosphere of nitrogen, was placed N-(5-chloropyridazin-3-yl)-1,1-diphenylmethanimine (10-2, 10.0 mL), HCl (3M) (15.0 mL). The resulting solution was stirred for 1 hr at room temperature. The pH value of the solution was adjusted to 7 with NaHCO3. The resulting mixture was concentrated. This resulted in 15 mL of 5-chloropyridazin-3-amine (5-1) as brown oil.
	Stage #1: N-(5-chloropyridazin-3-yl)-1,1-diphenylmethanimine With hydrogenchloride In water monomer; ethyl acetate at 20℃; for 0.5h; Stage #2: With hydrogenchloride In water monomer at 20℃; for 0.5h;	5-Chloropyridazin-3-amine A-(5-Chloropyridazin-3-yl)- l , 1 -di phenyl ethani ine (297 g, 84% w/w, 0.85 mol, Intermediate 16) was diluted with EtOAc (1.0 L) and water (700 mL). An aqueous HC1 solution (300 mL, 5.0 N, 1.5 mol) was then added dropwise at 20 °C, and the resulting mixture was stirred at 20 °C for 30 min. After this time, the mixture was filtered, and the filter pad was washed with 1 N aqueous HC1 (100 mL). The layers of the combined filtrate and wash were separated, the aqueous layer was washed three times with EtOAc. The aqueous layers were combined, and the pH was adjusted to pH 8-9 using a 5 N aqueous NaOH solution. After stirring at 10-20 °C for 1 h, the precipitate was collected by filtration and washed with water to give crude title compound as a brown solid (134 g, 71% w/w). This material was combined with another batch obtained in a similar way (36.2 g, 56% w/w). The combined batches were diluted with aqueous HC1 (2.0 L, 1.0 N, 2.0 mol) and stirred at rt for 30 min. The undissolved impurities were removed by filtration, and the filter pad was washed with water (100 mL). SiliaMetS Thiol (20 g) was added to the combined filtrate and wash, and the resulting mixture was stirred at 40 °C for 2 h and then filtered. Two additional treatments with SiliaMetS Thiol as described above were carried out. The pH of the final filtrate was adjusted to pH 9-10 using 5 N aqueous NaOH, and the resulting mixture was stirred at 10-20 °C for 1 h. The precipitate was isolated by filtration and then dried under vacuum to give the title compound as an off-white solid.

Reference： [1]Current Patent Assignee: INCYTE CORP - US2012/165305, 2012, A1 Location in patent: Page/Page column 34
[2]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - WO2021/242581, 2021, A1 Location in patent: Page/Page column 95; 137-139
[3]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2021/222404, 2021, A1 Location in patent: Page/Page column 216-217

3
[ 2221800-08-2 ]
[ 1314978-36-3 ]

Yield	Reaction Conditions	Operation in experiment
100%	With trifluoroacetic acid at 80℃; for 16h;	C.b Step b. A solution of 5-chloro-N-(4-methoxybenzyl)pyridazin-3-amine (2.000 g, 8.00 mmol) in TFA (20 ml) was heated at 80°C for 16 h. The resulting reaction mixture was concentrated under reduced pressure. The obtained residue was triturated using MTBE (20 ml) and dried under vacuum yielding 5-chloropyridazin-3-amine (1.800 g, quantitative). MS: ES+ 130.18.

Reference： [1]Current Patent Assignee: MISSION THERAPEUTICS LIMITED - WO2018/65768, 2018, A1 Location in patent: Page/Page column 80

4
[ 1314978-36-3 ]
[ 2735653-06-0 ]
[ 2735653-08-2 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydrogencarbonate In <i>tert</i>-butyl alcohol at 135℃; for 20h;	/ert-Butyl fV)-((7-cyanoimidazo[ 1 ,2-Z>]pyridazin-2-yl)(cyclohexyl)methyl)carbamate mixture of /er/-butyl fV)-((7-chloroimidazo[ l ,2-/>]pyridazin-2-yl)(cyclohexyl (methyl) carbamate (800 mg, 2.19 mmol, Intermediate 22), Zn(CN)2 (644 mg, 5.48 mmol), and zinc powder (29 mg, 0.44 mmol) in DMA (8.0 mL) was sparged with argon for 5 min, and then Pd2(dba)3 (405 mg, 0.442 mmol) and XPhos (420 mg, 0.881 mmol) were added. The mixture was sparged with argon for another 5 min. The mixture was then stirred at 120 °C under microwave irradiation for 2 h. After this time, the mixture was allowed to cool to rt and then filtered through a pad of Celite. The pad was rinsed with EtOAc, and the rinse was combined with the filtrate and diluted with water (30 mL). The layers were separated, and the aqueous layer was extracted three times with EtOAc. The organic extracts were combined, dried over anhydrous Na2S04, filtered, and concentrated. The residue was purified by silica gel chromatography (2: 1 petroleum ether / EtOAc) to afford the title compound as a brown oil.

Reference： [1]Current Patent Assignee: JOHNSON & JOHNSON INC - WO2021/222404, 2021, A1 Location in patent: Page/Page column 219

5
[ 1416146-93-4 ]
[ 1314978-36-3 ]

Yield	Reaction Conditions	Operation in experiment
	With trifluoroacetic acid In dichloromethane at 20℃; for 0.5h;	15.B Step B.5-chloropyridazin-3-amine A mixture of tert-butyl N-(5-chloropyridazin-3-yl)carbamate (1.70 g, 7.40 mmol) and trifluoroacetic acid (15.4 g, 135 mmol, 10.0 mL) in dichloromethane (20 mL) was stirred for 0.5 hour at 20 °C. The reaction mixture was then concentrated under reduced pressure to provide the title compound: LCMS m/z 259.0 [M+H]+.
	With trifluoroacetic acid In dichloromethane at 20℃; for 0.5h;	15.B Step B.5-chloropyridazin-3-amine A mixture of tert-butyl N-(5-chloropyridazin-3-yl)carbamate (1.70 g, 7.40 mmol) and trifluoroacetic acid (15.4 g, 135 mmol, 10.0 mL) in dichloromethane (20 mL) was stirred for 0.5 hour at 20 °C. The reaction mixture was then concentrated under reduced pressure to provide the title compound: LCMS m/z 259.0 [M+H]+.

Reference： [1]Current Patent Assignee: KUROME THERAPEUTICS; CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER; GOVERNMENT OF THE UNITED STATES - WO2022/132936, 2022, A1 Location in patent: Paragraph 00516-00517
[2]Current Patent Assignee: KUROME THERAPEUTICS; CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER; GOVERNMENT OF THE UNITED STATES - WO2022/132936, 2022, A1 Location in patent: Paragraph 00516-00517

6
[ 1314978-36-3 ]
[ 2787516-50-9 ]
[ 2787519-98-4 ]

Yield	Reaction Conditions	Operation in experiment
65%	With 1-propanephosphonic acid cyclic anhydride; N-ethyl-N,N-diisopropylamine In acetic acid butyl ester; ethyl acetate at 120℃; for 2h;	30.A Step A Intermediate 386: tert-Butyl (1S,4s)-4-(5-(((1S,2R,3S,4R)-3-((5-chloropyridazin-3- yl)carbamoyl)bicyclo[2.2.1]heptan-2-yl)carbamoyl)-2-fluoro-4- methoxyphenoxy)cyclohexane-1-carboxylate T3P (0.315 mL, 0.59 mmol, 50% in EtOAc) was added dropwise to a solution of Intermediate 67 (100 mg, 0.20 mmol), 5-chloropyridazin-3-amine (31 mg, 0.24 mmol) and DIPEA (0.19 mL, 0,79 mmol) in BuOAc (3 mL) at 20°C and the reaction mixture was stirred at 120°C for 2 h. The solvent was removed under reduced pressure and the residue was purified by preparative TLC (EtOAc), to give the title compound (80 mg, 65%) as a brown red oil which solidified on standing; MS (ESI) m/z [M+H]+ 617.4.
65%	With 1-propanephosphonic acid cyclic anhydride; N-ethyl-N,N-diisopropylamine In acetic acid butyl ester; ethyl acetate at 120℃; for 2h;	30.A Step A Intermediate 386: tert-Butyl (1S,4s)-4-(5-(((1S,2R,3S,4R)-3-((5-chloropyridazin-3- yl)carbamoyl)bicyclo[2.2.1]heptan-2-yl)carbamoyl)-2-fluoro-4- methoxyphenoxy)cyclohexane-1-carboxylate T3P (0.315 mL, 0.59 mmol, 50% in EtOAc) was added dropwise to a solution of Intermediate 67 (100 mg, 0.20 mmol), 5-chloropyridazin-3-amine (31 mg, 0.24 mmol) and DIPEA (0.19 mL, 0,79 mmol) in BuOAc (3 mL) at 20°C and the reaction mixture was stirred at 120°C for 2 h. The solvent was removed under reduced pressure and the residue was purified by preparative TLC (EtOAc), to give the title compound (80 mg, 65%) as a brown red oil which solidified on standing; MS (ESI) m/z [M+H]+ 617.4.

Reference： [1]Current Patent Assignee: MITSUBISHI CHEMICAL HOLDINGS CORPORATION; ASTRAZENECA PLC - WO2022/122773, 2022, A1 Location in patent: Page/Page column 311
[2]Current Patent Assignee: MITSUBISHI CHEMICAL HOLDINGS CORPORATION; ASTRAZENECA PLC - WO2022/122773, 2022, A1 Location in patent: Page/Page column 311

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P361	Remove/Take off immediately all contaminated clothing.
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

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. 1314978-36-3 ]

Quality Control of [ 1314978-36-3 ]

Related Doc. of [ 1314978-36-3 ]

Product Details of [ 1314978-36-3 ]

Calculated chemistry of of [ 1314978-36-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1314978-36-3 ]

Application In Synthesis of [ 1314978-36-3 ]

[ 1314978-36-3 ] Synthesis Path-Downstream 1~6

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry