[ CAS No. 1025719-23-6 ]

Name: 1025719-23-6|1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole|98%
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Quality Control of [ 1025719-23-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1025719-23-6 ]

Product Details of [ 1025719-23-6 ]

CAS No. :	1025719-23-6	MDL No. :	MFCD12022323
Formula :	C₁₁H₁₆BF₃N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CQKAWCKCEPHXAE-UHFFFAOYSA-N
M.W :	276.06	Pubchem ID :	46738026
Synonyms :

Calculated chemistry of [ 1025719-23-6 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.73
Num. rotatable bonds :	2
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	64.97
TPSA :	36.28 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.44 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.17
Log Po/w (WLOGP) :	2.89
Log Po/w (MLOGP) :	1.28
Log Po/w (SILICOS-IT) :	1.34
Consensus Log Po/w :	1.54

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.98
Solubility :	0.288 mg/ml ; 0.00104 mol/l
Class :	Soluble
Log S (Ali) :	-2.56
Solubility :	0.752 mg/ml ; 0.00272 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.28
Solubility :	0.144 mg/ml ; 0.000522 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.11

Safety of [ 1025719-23-6 ]

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 [ 1025719-23-6 ]

* 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 [ 1025719-23-6 ]

[ 1025719-23-6 ] Synthesis Path-Downstream 1~8

1
[ CAS Unavailable ]
[ 1025719-23-6 ]
[ 1788061-04-0 ]

Yield	Reaction Conditions	Operation in experiment
38.2%	With potassium phosphate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; XPhos In 1,4-dioxane; water at 100℃; for 16h; Inert atmosphere;	282 Synthesis of (4S)-7-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-N-(pyrazin-2-yl)-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide A suspension of (4S)-7-chloro-N-(pyrazin-2-yl)-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide (0.400 g, 1.263 mmol), 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole (0.697 g, 2.53 mmol) and potassium phosphate tribasic (0.803 g, 3.79 mmol) in 1,4-dioxane (25 mL) and water (4 mL) was degassed with argon at room temp for 15 mins, then added X-phos (0.0601 g, 0.126 mmol) and Pd(dba)2 (0.046 g, 0.051 mmol). The reaction mixture was further degassed for 15 min and was stirred 16 hours at 100° C. After completion of the reaction as indicated by TLC, the reaction mixture was cooled to 28° C. and was diluted with water (15 mL) and extracted with EtOAc (2×25 mL). The organic layer was washed with water followed by brine solution and dried over anhydrous sodium sulfate, filtered and filtrate was evaporated to get the crude (TLC eluent: 100% Ethyl Acetate in Hexane, Rf value: 0.3, UV active). The crude was purified by column chromatography using neutral alumina, and the product was eluted 40% ethyl acetate in pet ether to afford (4S)-7-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-N-(pyrazin-2-yl)-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide (0.208 g, 0.482 mmol, 38.2% yield) as a white solid, LCMS (m/z): 431.23 [M+H]+. 1H NMR (400 MHz, CDCl3): δ 13.08 (s, 1H), 9.51 (d, J=1.5 Hz, 1H), 8.29 (d, J=2.6 Hz, 1H), 8.25-8.22 (m, 1H), 7.65 (d, J=7.9 Hz, 1H), 7.21 (d, J=7.9 Hz, 1H), 7.05 (s, 1H), 5.71 (dd, J=5.8, 3.2 Hz, 1H), 4.24 (s, 3H), 3.33-3.15 (m, 3H), 3.04 (dd, J=12.2, 3.2 Hz, 1H), 2.42-2.30 (m, 1H), 2.10 (dt, J=14.1, 6.9 Hz, 1H).
38.2%	With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos In 1,4-dioxane; water at 100℃; for 16h; Inert atmosphere;	251 Example 251 Synthesis of (4S)-7-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-N-(pyrazin-2-yl)-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide A suspension of (4,S)-7-chloro-N-(pyrazin-2-yl)-3,4-dihydro-l,4-methanopyrido[2,3- 6][l,4]diazepine-5(2H)-carboxamide (0.400 g, 1.263 mmol), l-methyl-5-(4,4,5,5- tetramethyl-l,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-lH-pyrazole (0.697 g, 2.53 mmol) and potassium phosphate tribasic (0.803 g, 3.79 mmol) in 1,4-dioxane (25 mL) and water (4 mL) was degassed with argon at room temp for 15 mins, then added X-phos (0.0601 g,0.126 mmol) and Pd(dba)2 (0.046 g, 0.051 mmol). The reaction mixture was further degassed for 15 min and was stirred 16 hours at 100 °C. After completion of the reaction as indicated by TLC, the reaction mixture was cooled to 28 °C and was diluted with water (15 mL) and extracted with EtOAc (2X 25 mL). The organic layer was washed with water followed by brine solution and dried over anhydrous sodium sulfate, filtered and filtrate was evaporated to get the crude (TLC eluent: 100% Ethyl Acetate in Hexane, Rf value: 0.3, UV active). The crude was purified by column chromatography using neutral alumina, and the product was eluted 40% ethyl acetate in pet ether to afford (4,S)-7- (l-methyl-3-(trifluoromethyl)-lH-pyrazol-5-yl)-N-(pyrazin-2-yl)-3,4-dihydro-l,4- methanopyrido[2,3-6][l,4]diazepine-5(2H)-carboxamide (0.208 g, 0.482 mmol, 38.2 % yield) as a white solid, LCMS (m/z): 431.23 [M+H]+.1H NMR (400 MHz, CDC13): δ 13.08 (s, 1 H), 9.51 (d, J = 1.5 Hz, 1 H), 8.29 (d, J = 2.6 Hz, 1 H), 8.25 - 8.22 (m, 1 H), 7.65 (d, J = 7.9 Hz, 1 H), 7.21 (d, J = 7.9 Hz, 1 H), 7.05 (s, 1 H), 5.71 (dd, J = 5.8, 3.2 Hz, 1 H), 4.24 (s, 3 H), 3.33 - 3.15 (m, 3 H), 3.04 (dd, J = 12.2, 3.2 Hz, 1 H), 2.42 - 2.30 (m, 1 H), 2.10 (dt, J = 14.1, 6.9 Hz, 1 H)

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US2015/152108, 2015, A1 Location in patent: Paragraph 01501; 1502; 1503
[2]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2016/79709, 2016, A1 Location in patent: Page/Page column 534

2
[ 1025719-23-6 ]
[ 1800025-26-6 ]
[ 1800025-27-7 ]

Yield	Reaction Conditions	Operation in experiment
46%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In tetrahydrofuran at 100℃; for 1h; Microwave irradiation;	36 5.1.36 N-(4-Chloro-2,6-difluorophenyl)-1-{5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]pyrimidin-2-yl}-7-(2-oxoimidazolidin-1-yl)-2,3-dihydro-1H-indole-5-sulfonamide (34) A mixture of compound 33 (43.0 mg, 0.0734 mmol), 1-methyl-3-trifluoromethyl-1H-pyrazole-5-boronic acid pinacol ester (24.3 mg, 0.0880 mmol), Pd(Ph3P)4 (8.5 mg, 7.4 μmol), potassium carbonate (0.073 mL, 0.15 mmol), and THF (1 mL) was heated at 100 °C for 1 h under microwave irradiation. The mixture was quenched with 0.02 M hydrochloric acid and extracted with AcOEt. The organic layer was separated, washed with brine, dried over MgSO4, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (hexane/AcOEt = 40:60 to 0:100) and crystallized from AcOEt-iPr2O to give the title compound as a white solid (22.2 mg, 0.0339 mmol, 46%). MS (ESI/APCI) m/z 655.3 [M+H]+. 1H NMR (300 MHz, DMSO-d6) δ 3.18 (2H, t, J = 7.2 Hz), 3.26-3.38 (2H, m), 3.86-4.00 (5H, m), 4.37 (2H, t, J = 8.2 Hz), 6.31 (1H, s), 7.03 (1H, s), 7.37-7.46 (3H, m), 7.51 (1H, s), 8.79 (2H, s), 10.01 (1H, s). 13C NMR (101 MHz, DMSO-d6) δ 27.7, 37.5, 38.1, 45.5, 51.5, 104.6 (d, J = 2.2 Hz), 112.9 (t, J = 15.4 Hz), 113.1-113.4 (m), 114.4, 119.0, 121.4 (q, J = 267.8 Hz), 123.8, 126.8, 132.5 (t, J = 12.1 Hz), 134.5, 137.2, 139.6 (q, J = 37.4 Hz), 139.7, 140.2, 156.7, 157.7, 157.7, 158.9 (dd, J = 253.1, 5.9 Hz). Mp 156-158 °C. Anal. Calcd for C26H20ClF5N8O3S: C, 47.68; H, 3.08; N, 17.11. Found: C, 47.55; H, 3.16; N, 16.88.

Reference： [1]Sato, Kenjiro; Takahagi, Hiroki; Kubo, Osamu; Hidaka, Kousuke; Yoshikawa, Takeshi; Kamaura, Masahiro; Nakakariya, Masanori; Amano, Nobuyuki; Adachi, Ryutaro; Maki, Toshiyuki; Take, Kazumi; Takekawa, Shiro; Kitazaki, Tomoyuki; Maekawa, Tsuyoshi [Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 15, p. 4544 - 4560]

3
[ CAS Unavailable ]
[ 1025719-23-6 ]
[ 1984826-34-7 ]

Yield	Reaction Conditions	Operation in experiment
28%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane at 70℃; for 12h; Inert atmosphere;	17.1 Step 1: Preparation of 2-([5-fluoro-2-[1 -methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridin- 4-yl] methyl)-2,3-dihydro- 1 H-isoindole- 1,3 -dione [0977] A mixture of 2- [(2-bromo-5-fluoropyridin-4-yl)methyl] -2,3-dihydro- 1H-isoindole- 1,3 -dione (178 mg, 0.531 mmol, 0.67 equiv), 1 -methyl-5-(tetramethyl- 1,3 ,2-dioxaborolan-2-yl)-3- (trifluoromethyl)-1H-pyrazole (220 mg, 0.79 mmol, 1.00 equiv), Pd(dppf)C12 (39 mg, 0.05 mmol, 0.06 equiv), potassium carbonate (220 mg, 1.59 mmol, 1.99 equiv), and dioxane (10 mL) was stirred for 12 h at 70°C under nitrogen. The resulting mixture was concentrated under vacuum. The residue was diluted with ethyl acetate, washed with brine, dried over anhydrous sodium sulfate, and concentrated under vacuum. The residue was purified by a silica gel colunm eluting with ethyl acetate/petroleum ether (1/4) to afford the title compound (90 mg, 28%) as a white solid. LCMS [M+H] = 405.

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - WO2016/128529, 2016, A1 Location in patent: Paragraph 0975; 0976; 0977

4
[ CAS Unavailable ]
[ 1025719-23-6 ]
[ 1984826-36-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 12 h / 70 °C / Inert atmosphere 2: hydrazine hydrate / methanol / 12 h / 50 °C

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - WO2016/128529, 2016, A1

5
[ 1252637-36-7 ]
[ 1025719-23-6 ]
[ 2127146-26-1 ]

Yield	Reaction Conditions	Operation in experiment
74%	With palladium diacetate; sodium carbonate; triphenylphosphine In 1,2-dimethoxyethane; water at 60℃; for 8h;	3.g g) (2S,4R)-4-[4-(2 -Methyl-5-trifluoromethyl-2Hpyrazol-3-yl)-2 -trifluoromethyl10 benzenesulfonyl] -] -(1 -trifluoromethyl-cyclopropanecarbonyl)-pyrrolidine-2 -carboxylicacid (]-cyano-cyclopropyl)-amide Example 3f) (500 mg, 830 imol, Eq: 1.00), 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-3-(trifluoromethyl)- 1H-pyrazole (275 mg, 996 imol, Eq: 1.20) andtriphenylphosphine (43.5 mg, 166 imol, Eq: 0.20) were dissolved in 1,2-dimethoxyethane (6 mL). Pd(OAc)2 (18.6 mg, 83.0 imol, Eq: 0.10) and 2M aqueous Na2CO3 solution (1.5 mL) were added to the solution. The reaction mixture was stuffed at 60°C for 8 h. The reaction mixture was poured into 0.1 M aqueous HC1 solution (100 mL) and extracted with DCM. The aqueous layer was washed with DCM (3 x 50 mL). The organic layers weredried over Na2SO4 and concentrated in vacuo. The crude material was purified by flash chromatography (silica gel, 20 g, 0% to 80% EtOAc in heptane) to yield the title compound as light yellow foam (410 mg; 74%). mlz = 670.1169 [M-H].

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - WO2017/144483, 2017, A1 Location in patent: Page/Page column 25; 29

6
[ 1025719-23-6 ]
[ 2127146-53-4 ]
[ 2127146-63-6 ]

Yield	Reaction Conditions	Operation in experiment
8%	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate In 1,4-dioxane; water at 85℃; Inert atmosphere;	28 c) (2S,4R)-N-(] -cyanocyclopropyl)-4-(2 ‘-(trijluoromethoxy)biphenyl-4-ylsulfonyl)-] -(1-(trifluoromethyl)cyclopropanecarbonyl)pyrrolidine-2 -carboxamide General procedure: To a solution of (2S ,4R)-4- (4-bromophenylsulfonyl)-N-( 1 -cyanocyclopropyl)- 1 -(1-(trifluoromethyl)cyclopropanecarbonyl)pyrrolidine-2-carboxamide (example 20b, 321 mg, 0.6 mmol) and 2-(trifluoromethoxy)phenylboronic acid (185 mg, 900 imol) in dioxan (6 mL) and sodium carbonate 2M in water (1.5 mL, 3.00 mmol) was added under stuffing andunder an athmosphere of nitrogen 1,1 ‘-bis)diphenylphosphino)-ferrocenepalladiuim(ll)dichloride dichloromethane complex (24.5 mg, 30.0 imol). The reaction was heated to 85°C over night. After cooling water was added and the reaction was extracted twice with ethyl acetate. The combined organic layers were washed with saturated aqueous sodium chloride solution, dried over sodium sulfate, filtered and the solvent was removedunder reduced pressure. The residue was purified by column chromatography on silica gel using heptane: ethyl acetate (9:1 to 1:4) as the eluent. The crude product was stuffed with hptane/diethyl ether, filtered and dried to yield the title compound as a white powder (272.4 mg, 74 %).

Reference： [1]Current Patent Assignee: ROCHE HOLDING AG - WO2017/144483, 2017, A1 Location in patent: Page/Page column 42; 43; 48

7
[ 1025719-23-6 ]
[ 2147715-27-1 ]
[ 2147716-93-4 ]

Yield	Reaction Conditions	Operation in experiment
660 mg	With bis(triphenylphosphine)palladium(II) dichloride; potassium carbonate; triphenylphosphine In propan-1-ol; water at 80℃; for 16h; Inert atmosphere;	368 2-(2-Fluorophenyl)-N-{4-[1 -methyl -3-(trifl uoromethyl)-1 H-pyrazol -5-yl]-3- sulfamoylphenyl}acetamide 2-Chloro-N-[(dimethylamino)methylidene]-5-nitrobenzenesulfonamide (550 mg, 1.89 mmol) and 1 -methyl-5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1 Hpyrazole (1.04 g, 3.77 mmol) were dissolved in n-propanol (25 ml) and bis(triphenylphosphine)palladium(l I) dichloride (CAS 13965-03-2) (66.4 mg, 94.3 pmol), triphenylphosphine (24.7 mg, 94.3 pmol) and aq. potassium carbonate solution (2.4 ml,2.0 M, 4.7 mmol) were added. The solution was purged with argon for 5 minutes and the reaction was heated at 8000 for 16h. Afterwards the mixture was filtered over Celite, the solvent was removed under reduced pressure and the crude was co-distilled with THF and used without further purification in the next step (660 mg).

Reference： [1]Current Patent Assignee: BAYER AG - WO2017/191000, 2017, A1 Location in patent: Page/Page column 176; 466; 467

8
[ 61676-62-8 ]
[ 154471-65-5 ]
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole [ No CAS ]

Reference： [1]Organic Process Research and Development,2020,vol. 24,p. 2619 - 2632

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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. 1025719-23-6 ]

Quality Control of [ 1025719-23-6 ]

Related Doc. of [ 1025719-23-6 ]

Product Details of [ 1025719-23-6 ]

Calculated chemistry of [ 1025719-23-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1025719-23-6 ]

Application In Synthesis of [ 1025719-23-6 ]

[ 1025719-23-6 ] Synthesis Path-Downstream 1~8

Related Functional Groups of [ 1025719-23-6 ]

Organoboron

Esters

Related Parent Nucleus of [ 1025719-23-6 ]

Pyrazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1025719-23-6 ]

Related Parent Nucleus of
[ 1025719-23-6 ]