[ CAS No. 954239-22-6 ] {[proInfo.proName]}

Name: 954239-22-6|6-(Trifluoromethyl)-1H-indazole|97%
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SKU: A150803
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Quality Control of [ 954239-22-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 954239-22-6 ]

SDS Specification

Alternatived Products of [ 954239-22-6 ]

Product Details of [ 954239-22-6 ]

CAS No. :	954239-22-6	MDL No. :	MFCD08690097
Formula :	C₈H₅F₃N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PFAFARJWFBPNIN-UHFFFAOYSA-N
M.W :	186.13	Pubchem ID :	21455599
Synonyms :

Calculated chemistry of [ 954239-22-6 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.12
Num. rotatable bonds :	1
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	41.1
TPSA :	28.68 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) :	-5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.06
Log Po/w (XLOGP3) :	2.44
Log Po/w (WLOGP) :	3.73
Log Po/w (MLOGP) :	2.19
Log Po/w (SILICOS-IT) :	2.98
Consensus Log Po/w :	2.48

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.98
Solubility :	0.196 mg/ml ; 0.00105 mol/l
Class :	Soluble
Log S (Ali) :	-2.69
Solubility :	0.384 mg/ml ; 0.00206 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.8
Solubility :	0.0296 mg/ml ; 0.000159 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.43

Safety of [ 954239-22-6 ]

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 [ 954239-22-6 ]

* 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.

Upstream synthesis route of [ 954239-22-6 ]
Downstream synthetic route of [ 954239-22-6 ]

[ 954239-22-6 ] Synthesis Path-Upstream 1~4

1
[ 89763-93-9 ]
[ 954239-22-6 ]

Yield	Reaction Conditions	Operation in experiment
37%	Stage #1: With O-Methylhydroxylamin In tetrahydrofuran at 20℃; for 3 h; Stage #2: With hydrazine hydrate In tetrahydrofuran at 80℃; for 3 h;	NH₂OMe (174 mg, 2.08 mmol, 2.0 eq.) was added to a stirred solution of 2-fluoro-4-trifluoromethyl benzaldehyde 13 (200 mg, 1.04 mmol, 1.0 eq.) in THF (5 mL) at rt. After stirring at rt for 3 h, (NH₂)₂·H₂O (67 mg, 2.08 mmol, 2.0 eq.) was added to the reaction mixture and reflux for 3 h. Then the reaction mixture was quenched with sat Na₂S₂O_3(aq) and extracted with EtOAc, dried over MgSO₄, and evaporated in reduced pressure, to give the crude product. Purification with Yamazen automated chromatography with Hex:EtOAc = 9:1 as eluent to give 14 (121 mg, 37percent) as a colourless solid, ¹H NMR (300 MHz, CDCl₃) δ 10.57 (1H, br s), 8.18 (1H, s), 7.89 (1H, dd, J = 9.0, 0.5 Hz), 7.42 (1H, dd, J = 9.0, 3.0 Hz), 7.42 (1H, dd, J = 9.0, 3.0 Hz); MS (ESI) m/z 203 [(M + Na)⁺], RT 1.00 min (Condition A).

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 14, p. 2408 - 2412

2
[ 1000373-74-9 ]
[ 954239-22-6 ]

Reference： [1] Patent: EP2045253, 2009, A1, . Location in patent: Page/Page column 46

3
[ 402-44-8 ]
[ 954239-22-6 ]

Reference： [1] Tetrahedron Letters, 2004, vol. 45, # 8, p. 1769 - 1771

4
[ 954239-22-6 ]
[ 1000341-27-4 ]

Yield	Reaction Conditions	Operation in experiment
83%	With iodine; potassium hydroxide In N,N-dimethyl-formamide at 20℃; for 3 h;	I₂ (330 mg, 1.30 mmol, 2.0 eq.) was added to a stirred solution of 14 (121 mg, 0.65 mmol, 1.0 eq.) and KOH (73 mg, 1.30 mmol, 2.0 eq.) in DMF (6.5 mL) at rt. After stirring at rt for 3 h, the reaction mixture was quenched with sat Na₂S₂O_3(aq) and extracted with EtOAc, dried over MgSO₄, and evaporated in reduced pressure, to give the crude product. Purification with Yamazen automated chromatography with Hex:EtOAc = 9:1 as eluent to give 15 (169 mg, 83percent) as a colourless solid, ¹H NMR (300 MHz, CDCl₃) δ 10.65 (1H, br s), 7.82 (1H, d, J = 3.0 Hz), 7.65 (1H, d, J = 9.0 Hz), 7.47 (1H, dd, J = 9.0, 0.5 Hz); MS (ESI) m/z 313 [(M + H)⁺], RT 4.46 min (condition B).

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 14, p. 2408 - 2412
[2] Patent: US2010/29733, 2010, A1, . Location in patent: Page/Page column 39-40

[ 954239-22-6 ] Synthesis Path-Downstream 1~14

1
6-trifluoromethyl-3-trimethylsilanyl-1<i>H</i>-indazole [ No CAS ]
[ 954239-22-6 ]

Reference： [1]Tetrahedron Letters,2004,vol. 45,p. 1769 - 1771

2
[ 402-44-8 ]
[ 954239-22-6 ]

Reference： [1]Tetrahedron Letters,2004,vol. 45,p. 1769 - 1771

3
[ 1000373-74-9 ]
[ 954239-22-6 ]

Yield	Reaction Conditions	Operation in experiment
	With acetic anhydride; nitrous anhydride; acetic acid; at 0℃; for 14h;	A mixture of 8.04 g of 3-benzoylamino-4-methyl-benzotrifluoride, 40 ml of acetic acid and 20 ml of acetic anhydride was cooled with ice, and the mixture was stirred for 14 hours while bubbling through N2O3 gas, according to a method described in Organic Synthesis, vol. 42, page 69 (1962). After completion of the reaction was confirmed by HPLC, the reaction mixture was poured into 70 g of ice and 50 ml of water, the mixture was stirred under ice-cooling for 1 hour, and the mixture was filtered. The resulting solid was washed with water and dried under reduced pressure. Thereafter, 50 ml of benzene was added to the mixture and the mixture was stirred at room temperature for 24 hours. The reaction mixture was cooled with ice, 20 ml of 2M hydrochloric acid was added to the mixture to isolate the organic layer. Thereafter, the organic layer was extracted with 5M hydrochloric acid. Concentrated ammonia water was added to the combined aqueous layers until the pH reached 10 or higher. The precipitated solid was collected by filtration and then washed with water to give 1.18 g (yield: 22%, two steps) of 6-trifluoromethylindazole. MASS(ESI+) m/z= 187 (M+H)+ 1H-NMR (300 MHz, CDCl3) delta (ppm) 8.19(1H, s), 7.90(1H, d, J=8.5Hz), 7.84(1H, s), 7.42(1H, d, J=8.5Hz), 7.30(2H, brs)

Reference： [1]Patent: EP2045253,2009,A1 .Location in patent: Page/Page column 46

4
[ 954239-22-6 ]
C₈H₄F₃N₃O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Under ice-cooling, 1.01 g (12.0 mmol) of sodium nitrate was added to a mixture of 1.54 g (8.29 mmol) of <strong>[954239-22-6]6-trifluoromethylindazole</strong> and 5 ml of concentrated sulfuric acid, and the mixture was stirred for 1 hour. The reaction mixture was poured onto ice and after ammonia water was added dropwise to the mixture under ice-cooling until pH reached 10 or higher, the precipitated solid was collected by filtration and then washed with water, followed by drying. The resulting crude product was dissolved in 50 ml of methanol, activated carbon was added to the mixture, and the mixture was filtered. 0.20 g of 5% Palladium-on-carbon was added to the filtrate, and the mixture was stirred under a hydrogen atmosphere at room temperature for 14 hours. The mixture was filtered through Celite and the filtrate was concentrated under reduced pressure to give 1.57 g (yield: 94%, two steps) of 5-amino-<strong>[954239-22-6]6-trifluoromethylindazole</strong>. MASS(ESI+) m/z= 202 (M+H)+ 1H-NMR (300 MHz, CD3OD) delta (ppm) 7.89(1H, s), 7.72(1H, s), 7.20(1H, s)

Reference： [1]Patent: EP2045253,2009,A1 .Location in patent: Page/Page column 46

5
[ 954239-22-6 ]
[ 1000341-27-4 ]

Yield	Reaction Conditions	Operation in experiment
83%	With iodine; potassium hydroxide; In N,N-dimethyl-formamide; at 20℃; for 3h;	I2 (330 mg, 1.30 mmol, 2.0 eq.) was added to a stirred solution of 14 (121 mg, 0.65 mmol, 1.0 eq.) and KOH (73 mg, 1.30 mmol, 2.0 eq.) in DMF (6.5 mL) at rt. After stirring at rt for 3 h, the reaction mixture was quenched with sat Na2S2O3(aq) and extracted with EtOAc, dried over MgSO4, and evaporated in reduced pressure, to give the crude product. Purification with Yamazen automated chromatography with Hex:EtOAc = 9:1 as eluent to give 15 (169 mg, 83%) as a colourless solid, 1H NMR (300 MHz, CDCl3) delta 10.65 (1H, br s), 7.82 (1H, d, J = 3.0 Hz), 7.65 (1H, d, J = 9.0 Hz), 7.47 (1H, dd, J = 9.0, 0.5 Hz); MS (ESI) m/z 313 [(M + H)+], RT 4.46 min (condition B).
	With iodine; potassium hydroxide; In N,N-dimethyl-formamide; at 20℃; for 3h;	Reference Example 17; 6-Trifluoromethyl-3-iodo-1H-indazolePotassium hydroxide (73 mg, manufactured by Wako Pure Chemical Industries, Ltd.) and iodine (330 mg, manufactured by Kanto Chemical Co., Inc.) were added to a solution of 6-(trifluoromethyl)-1H-indazole (121 mg) synthesized according to the literature (Shoji, et al., Tetrahedron Lett., 2004, 45, 1769-1772) in N,N-dimethylformamide (6.5 mL, manufactured by Kanto Chemical Co., Inc.), and the mixture was stirred for 3 hours at room temperature. An aqueous solution of sodium thiosulfate (20 mL) was added to the reaction solution, and the mixture was extracted with ethyl acetate (3×20 mL), washed with brine (40 mL), and dried (MgSO4). The solvent was then evaporated. The resulting residue was purified by silica gel column chromatography (hexane:ethyl acetate=9:1), to give 169 mg of the title compound. LC-MS: HPLC retention time 4.46 minutes, m/z 313 (M+H), condition B-1.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 2408 - 2412
[2]Patent: US2010/29733,2010,A1 .Location in patent: Page/Page column 39-40
[3]European Journal of Medicinal Chemistry,2020,vol. 187

6
[ 93381-28-3 ]
[ 954239-22-6 ]
C₁₂H₁₃F₃N₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.04 g		[0215] To a stirring solution of <strong>[954239-22-6]6-trifluoromethyl indazole</strong> 109 (1.50 g, 8.06 mmol) in DMF (35.0 mL) was added NaH (0.450 g, 11.25 mmol) portion wise. Stirred at rt for 30 min. Nal (0.420 g, 2.80 mmol) was added, followed by (R)-3-Bromo-2-methyl-l-propanol (1.89 mL, 18.02 mmol). The mixture stirred at 55C for 20 h. The mixture was concentrated, then carefully diluted with water and extracted with EtOAc (3 x 100 mL). The org. extracts were washed with water, dried (MgS04) and concentrated. Purified via column chromatography, eluting with 40- 50%) EtOAc/hexanes to afford compound 110 (1.04 g) as a yellow oil.

Reference： [1]Patent: WO2014/152144,2014,A1 .Location in patent: Paragraph 0215

7
[ 954239-22-6 ]
(S)-1-(3-bromo-2-methylpropyl)-6-(trifluoromethyl)-1H-indazole [ No CAS ]

Reference： [1]Patent: WO2014/152144,2014,A1

8
[ 954239-22-6 ]
[ 1204772-93-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 2408 - 2412
[2]European Journal of Medicinal Chemistry,2020,vol. 187

9
[ 954239-22-6 ]
3-(3,4-dihydro-2H-pyran-6-yl)-6-(trifluoromethyl)-1H-indazole [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 2408 - 2412

10
[ 954239-22-6 ]
ethyl 2-(3-(3,4-dihydro-2H-pyran-6-yl)-6-(trifluoromethyl)-1H-indazol-1-yl)thiazole-4-carboxylate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 2408 - 2412

11
[ 954239-22-6 ]
[ 1204772-04-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 2408 - 2412

12
[ 89763-93-9 ]
[ 954239-22-6 ]

Yield	Reaction Conditions	Operation in experiment
37%		NH2OMe (174 mg, 2.08 mmol, 2.0 eq.) was added to a stirred solution of <strong>[89763-93-9]2-fluoro-4-trifluoromethyl benzaldehyde</strong> 13 (200 mg, 1.04 mmol, 1.0 eq.) in THF (5 mL) at rt. After stirring at rt for 3 h, (NH2)2·H2O (67 mg, 2.08 mmol, 2.0 eq.) was added to the reaction mixture and reflux for 3 h. Then the reaction mixture was quenched with sat Na2S2O3(aq) and extracted with EtOAc, dried over MgSO4, and evaporated in reduced pressure, to give the crude product. Purification with Yamazen automated chromatography with Hex:EtOAc = 9:1 as eluent to give 14 (121 mg, 37%) as a colourless solid, 1H NMR (300 MHz, CDCl3) delta 10.57 (1H, br s), 8.18 (1H, s), 7.89 (1H, dd, J = 9.0, 0.5 Hz), 7.42 (1H, dd, J = 9.0, 3.0 Hz), 7.42 (1H, dd, J = 9.0, 3.0 Hz); MS (ESI) m/z 203 [(M + Na)+], RT 1.00 min (Condition A).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2018,vol. 28,p. 2408 - 2412

13
5-(3,5-difluorophenyl)-2,3-bis(ethylsulfonyl)pyridine [ No CAS ]
[ 954239-22-6 ]
2-[5-(3,5-difluorophenyl)-3-ethylsulfonyl-2-pyridyl]-6-(trifluoromethyl)indazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		A 20ml_ sealed vial was charged with a suspension 6-(trifluoromethyl)-1 H-indazole (0.192 g, 0.999 mmol, 1.50 equiv.) [commercially available, CAS 95239-22-6] and potassium tert-butoxide (0.100 g, 0.866 mmol, 1 .30 equiv.) in 2-MeTHF (5 mL). After 15 min of stirring at room temp, a solution of 5- (3,5-difluorophenyl)-2,3-bis(ethylsulfonyl)pyridine (0.250 g, 0.666 mmol, 1.00 equiv.) in 2-Me-THF (10 mL) was slowly added dropwise over a 30 min. period. The mixture was stirred for 3 hours at RT. The reaction mixture was diluted with ethyl acetate and water, extracted with ethyl acetate and the combined organic layers were dried over MgS04. Concentration under reduced pressure and purification by flash chromatography om silica gel using cyclohexane/ethyl acetate as eluent furnished the desired product as an off-white solid. (0332) NMR (400 MHz, CDCI3) delta/ppm: 1.49 (t, J = 7.5 Hz, 3H), 4.08 (q, J = 7.3 Hz, 2H), 6.98 (tt, J = 8.8, 2.2 Hz, 1 H), 7.19-7.25 (m, 2H), 7.32 (dd, J = 8.4, 1.5 Hz, 1 H), 7.90 (d, J = 8.8 Hz, 1 H), 8.08 (d, J = 1.1 Hz, 1 H), 8.76 (d, J = 2.2 Hz, 1 H), 8.80 (d, J = 0.7 Hz, 1 H), 8.95 (d, J = 2.2 Hz, 1 H).

Reference： [1]Patent: WO2018/113900,2018,A1 .Location in patent: Page/Page column 40

14
[ 954239-22-6 ]
C₃₅H₄₆F₃N₃O₅Si [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,2020,vol. 187

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
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P234	Keep only in original container.
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P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
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Response
Code	Phrase
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P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
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P337	If eye irritation persists:
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P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
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P378
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P391	Collect spillage. Hazardous to the aquatic environment
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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.
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P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
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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
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P401
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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. 954239-22-6 ] {[proInfo.proName]}

Quality Control of [ 954239-22-6 ]

Related Doc. of [ 954239-22-6 ]

Product Details of [ 954239-22-6 ]

Calculated chemistry of [ 954239-22-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

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Application In Synthesis of [ 954239-22-6 ]

[ 954239-22-6 ] Synthesis Path-Upstream 1~4

[ 954239-22-6 ] Synthesis Path-Downstream 1~14

Related Functional Groups of [ 954239-22-6 ]

Fluorinated Building Blocks

Trifluoromethyls

Related Parent Nucleus of [ 954239-22-6 ]

Indazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

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Inquiry

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[ 954239-22-6 ]

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[ 954239-22-6 ]