[ CAS No. 119083-00-0 ]

Name: 119083-00-0|1-Methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid|97%
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Product Details of [ 119083-00-0 ]

CAS No. :	119083-00-0	MDL No. :	MFCD04110182
Formula :	C₆H₅F₃N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VAKOSNKAXYJZRG-UHFFFAOYSA-N
M.W :	194.11	Pubchem ID :	2807771
Synonyms :

Calculated chemistry of [ 119083-00-0 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.33
Num. rotatable bonds :	2
Num. H-bond acceptors :	6.0
Num. H-bond donors :	1.0
Molar Refractivity :	35.45
TPSA :	55.12 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) :	-7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.99
Log Po/w (XLOGP3) :	0.68
Log Po/w (WLOGP) :	2.29
Log Po/w (MLOGP) :	0.77
Log Po/w (SILICOS-IT) :	0.82
Consensus Log Po/w :	1.11

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.62
Solubility :	4.61 mg/ml ; 0.0237 mol/l
Class :	Very soluble
Log S (Ali) :	-1.41
Solubility :	7.48 mg/ml ; 0.0385 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.06
Solubility :	16.9 mg/ml ; 0.0869 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.6

Safety of [ 119083-00-0 ]

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 [ 119083-00-0 ]

* 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 [ 119083-00-0 ]
Downstream synthetic route of [ 119083-00-0 ]

[ 119083-00-0 ] Synthesis Path-Upstream 1~7

1
[ 231285-86-2 ]
[ 111493-74-4 ]
[ 113100-53-1 ]
[ 119083-00-0 ]

Reference： [1] Patent: JP5830957, 2015, B2, . Location in patent: Paragraph 0041

2
[ 231285-86-2 ]
[ 119083-00-0 ]

Yield	Reaction Conditions	Operation in experiment
94%	With water; lithium hydroxide In tetrahydrofuran at 0 - 20℃;	[00618] Intermediate 65b: I -methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid[00619] To a solution of ethyl 1 -methyl-5-(trifluoromethyl)pyrazole-4-carboxylate (2.91 g, 13.Ogmmol) in THF (52mL) at 0 °Cwas added a solution of lithium hydroxide (627mg, 26.l8mmol) in water (26mL) and the mixture was stirred at room temperature overnight. The mixture was thenacidified to pH 1-2 with 1M HCI and extracted with EtOAc (4 x 5OmL). The combined organic layers were washed with brine (5OmL), dried over Na2SO4, filtered and concentrated in vacuo to give 1- methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid (2.39g, 12.33mmol, 94percent yield) as an off-white solid.1H NMR (CDCI3, 400MHz) O/ppm: 8.02 (1H, 5), 4.13 (3H, q, J= 2.0Hz) exchangeable proton notseen. 19F NMR (CDCI3, 400MHz) O/ppm: -57.2.MS Method 2: RT: 1.16 mi mlz 193.0 [M-H]

Reference： [1] Patent: WO2016/51193, 2016, A1, . Location in patent: Paragraph 00615; 00618; 00619

3
[ 124-38-9 ]
[ 497832-98-1 ]
[ 119083-00-0 ]

Reference： [1] European Journal of Organic Chemistry, 2002, # 17, p. 2913 - 2920

4
[ 231285-86-2 ]
[ 111493-74-4 ]
[ 113100-53-1 ]
[ 119083-00-0 ]

Reference： [1] Patent: JP5830957, 2015, B2, . Location in patent: Paragraph 0041

5
[ 124-38-9 ]
[ 153085-15-5 ]
[ 481065-92-3 ]
[ 119083-00-0 ]

Reference： [1] European Journal of Organic Chemistry, 2002, # 17, p. 2913 - 2920

6
[ 153085-15-5 ]
[ 119083-00-0 ]

Reference： [1] European Journal of Organic Chemistry, 2002, # 17, p. 2913 - 2920

7
[ 571-55-1 ]
[ 119083-00-0 ]

Reference： [1] Patent: WO2016/51193, 2016, A1,

[ 119083-00-0 ] Synthesis Path-Downstream 1~18

1
[ 124-38-9 ]
[ 153085-15-5 ]
[ 481065-92-3 ]
[ 119083-00-0 ]

Reference： [1]European Journal of Organic Chemistry,2002,p. 2913 - 2920

2
[ 124-38-9 ]
[ 497832-98-1 ]
[ 119083-00-0 ]

Reference： [1]European Journal of Organic Chemistry,2002,p. 2913 - 2920

3
[ 338959-35-6 ]
[ 119083-00-0 ]
1-(1-methyl-5-trifluoromethylpyrazol-4-carbonyl)-2,3-dihydro-8-(4-methylpiperazin-1-yl)pyrrolo[3,2-g]isoquinoline [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2005,vol. 15,p. 4370 - 4374

4
[ 10523-68-9 ]
[ 119083-00-0 ]
Methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With O-(N-succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In dichloromethane; water; N,N-dimethyl-formamide; acetonitrile; for 3h;	Example 4 <strong>[119083-00-0]Methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid</strong> adamantan-2-ylamide <strong>[119083-00-0]Methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid</strong> (77 mg, 0.4 mmol, CAS#: 119083-00-0, purchased from Bionet) was dissolved in a mixture of dry dichloromethane (3.2 mL) and dry DMF (0.8 mL). DIPEA (0.28 mL, 1.6 mmol) and TSTU (145 mg, 0.44 mmol) were added to the above mixture. After the mixture was stirred for 1 h, the appearance of active ester was detected by LC-MS. Then 2-aminoadamantane hydrochloride (75 mg, 0.4 mmol) was added. After another 2 hours water was added and the organic layer was separated. The aqueous layer was extracted twice with dichloromethane. The combined organic phases were dried under vacuum and purified by C-18 reversed phase HPLC with a gradient of 10-100% acetonitrile/water to give 1-methyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid adamantan-2-ylamide (85 mg, 65%). Mass spectrum: m/z: 328.2 (M+1).

Reference： [1]Patent: US2007/225280,2007,A1 .Location in patent: Page/Page column 21

5
[ 153085-15-5 ]
[ 119083-00-0 ]

Reference： [1]European Journal of Organic Chemistry,2002,p. 2913 - 2920

6
[ 1227070-28-1 ]
[ 119083-00-0 ]
N-(1-(6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl)piperidin-4-yl)-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide dihydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
32%	With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 20℃; for 3h;	Example 35 N-(l-(6-(4-Fluorophenyl)-4,5-dimethylpyridazin-3-yl)piperidin-4-yl)-N,l-dimethyl-5- (trifluoromethyl)- lH-pyrazole-4-carboxamide dihydrochloride; Dissolve l-(6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl)-N-methylpiperidin-4- amine (800 mg, 4.12 mmol) in DMF (25 mL). Add l-methyl-5-(trifluoromethyl)-lH- pyrazole-4-carboxylic acid (1.08 g, 3.44 mmol), triethylamine (1.44 mL, 10.3 mmol) and PyBOP (2.68 g, 5.15 mmol). Stir at ambient temperature for 3 h. Concentrate the reaction mixture and purify the residue by flash silica gel chromatography using a gradient of 0-100% (5: 1 EtOAc: 2 M NuEta3/MeOEta) in hexanes. Dissolve the isolated product in CH2Cl2 (10 mL) and add 2 M HCl in Et2O (8 mL). Remove solvents under a stream of N2 and dry in a vacuum oven at 50 0C overnight to afford the title compound (612 mg, 32%). ES/MS (m/z) 491.2 (M+l). Prepare the amides in the table below by essentially following the procedure described in Example 34, using the appropriate carboxylic acid. Purify Example 36 over an SCX column (eluting with 2 M NH3/MeOH) followed by flash chromatography.

Reference： [1]Patent: WO2010/56588,2010,A1 .Location in patent: Page/Page column 27

7
tert-butyl [trans-2-(4-aminophenyl)cyclopropyl](cyclopropylmethyl)carbamate [ No CAS ]
[ 119083-00-0 ]
N-(4-{trans-2-[(cyclopropylmethyl)amino]cyclopropyl}phenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Example 159 N-(4-{trans-2-[(cyclopropylmethyl)amino]cyclopropyl}phenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide hydrochloride By a method similar to Example 80, the title compound (56.1 mg) was obtained from tert-butyl [trans-2-(4-aminophenyl)cyclopropyl](cyclopropylmethyl)carbamate (82.8 mg) and <strong>[119083-00-0]1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid</strong> (63.8 mg). MS (API+): [M+H]+ 379.3. 1H NMR (300 MHz, DMSO-d6) delta 0.29-0.40 (2H, m), 0.52-0.62 (2H, m), 0.95-1.11 (1H, m), 1.18-1.30 (1H, m), 1.39-1.52 (1H, m), 2.32-2.47 (1H, m), 2.82-3.02 (3H, m), 3.98 (3H, s), 7.14 (2H, d, J = 8.6 Hz), 7.61 (2H, d, J = 8.6 Hz), 8.54 (1H, s), 9.01 (2H, brs), 10.12 (1H, s).

Reference： [1]Patent: EP2743256,2014,A1 .Location in patent: Page/Page column

8
[ 1613289-51-2 ]
[ 119083-00-0 ]
[ 1613289-07-8 ]

Reference： [1]Journal of Medicinal Chemistry,2014,vol. 57,p. 5419 - 5434

9
[ 571-55-1 ]
[ 119083-00-0 ]

Reference： [1]Patent: WO2016/51193,2016,A1

10
[ 231285-86-2 ]
[ 119083-00-0 ]

Yield	Reaction Conditions	Operation in experiment
94%	With water; lithium hydroxide; In tetrahydrofuran; at 0 - 20℃;	[00618] Intermediate 65b: I -methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid[00619] To a solution of ethyl 1 -methyl-5-(trifluoromethyl)pyrazole-4-carboxylate (2.91 g, 13.Ogmmol) in THF (52mL) at 0 Cwas added a solution of lithium hydroxide (627mg, 26.l8mmol) in water (26mL) and the mixture was stirred at room temperature overnight. The mixture was thenacidified to pH 1-2 with 1M HCI and extracted with EtOAc (4 x 5OmL). The combined organic layers were washed with brine (5OmL), dried over Na2SO4, filtered and concentrated in vacuo to give 1- methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid (2.39g, 12.33mmol, 94% yield) as an off-white solid.1H NMR (CDCI3, 400MHz) O/ppm: 8.02 (1H, 5), 4.13 (3H, q, J= 2.0Hz) exchangeable proton notseen. 19F NMR (CDCI3, 400MHz) O/ppm: -57.2.MS Method 2: RT: 1.16 mi mlz 193.0 [M-H]

Reference： [1]Patent: WO2016/51193,2016,A1 .Location in patent: Paragraph 00615; 00618; 00619

11
[ 119083-00-0 ]
C₆H₄ClF₃N₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; In toluene; for 2h;Reflux;	[00620] Intermediate 65c: 2-(benzotriazol-1 -yI)-l -[1 -methyl-5-(trifluoromethyl)pyrazol-4- yI]ethanone[00621] To a stirred solution of <strong>[119083-00-0]1-methyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid</strong> (2.39g,12.33mmol) in dry toluene (49mL) was added thionyl chloride (2.7mL, 37.22mmol) dropwise atroom temperature. The mixture was heated to reflux for 2 hours and then cooled to room temperature and concentrated in vacuo. The resulting oil (acid chloride) was dissolved in dry THF (7OmL) and 1 -[(trimethylsilyl)methyl]-1 H-benzotriazole (2.53g, 1 2.33mmol) was added. The mixture was heated to reflux overnight and then cooled to room temperature and concentrated in vacuo.The residual solid was taken up in THF (4mL). The mixture was cooled to 0 C, filtered and the solidwashed with cold THF (2mL) and dried in vacuo to afford 2-(benzotriazol-1-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanone (2.lOg, 6.8mmol, 55% yield) as a white crystalline solid.1H NMR (CDCI3, 400MHz) O/ppm: 8.12 (1H, dt, J= 8.4Hz, 0.9Hz), 8.05 (1H, brs), 7.53 (1H, dq, J=6.9Hz, 0.9Hz), 7.46-7.39 (2H, m), 5.87 (2H, 5), 4.13 (3H, q, J= 1.8Hz). 19F NMR (CDCI3, 400MHz)O/ppm: -57.7.MS Method 2: RT: 1.53 mi m/z310.1 [M+H]

Reference： [1]Patent: WO2016/51193,2016,A1 .Location in patent: Paragraph 00615; 00620; 00621

12
[ 119083-00-0 ]
2-(benzotriazol-1-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanone [ No CAS ]

Reference： [1]Patent: WO2016/51193,2016,A1

13
[ 119083-00-0 ]
[(Z)-2-(benzotriazol-1-yl)-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]vinyl] trifluoromethanesulfonate [ No CAS ]

Reference： [1]Patent: WO2016/51193,2016,A1

14
[ 119083-00-0 ]
methyl 2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]acetate [ No CAS ]

Reference： [1]Patent: WO2016/51193,2016,A1

15
[ 119083-00-0 ]
2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]acetic acid [ No CAS ]

Reference： [1]Patent: WO2016/51193,2016,A1

16
[ 231285-86-2 ]
[ 111493-74-4 ]
[ 113100-53-1 ]
[ 119083-00-0 ]

Yield	Reaction Conditions	Operation in experiment
		ethyl 5- (trifluoromethyl) -1-methyl -1H- pyrazole-4- carboxylate and 5.5 mol% and ethyl 3-(trifluoromethyl) -1-methyl -1H- pyrazole-4-carboxylate 94 .5 mol% containing crude crystals 5.08g (0.02mol), water 7.58 g, 25 mass% sodium hydroxide aqueous solution 5.56 g (0.01 mol) were added to the 100ml round-bottomed flask, while stirring it was heated in an oil bath and reacted under reflux for 3 hours. After cooling to room temperature, 15 mass% hydrochloric acid 10.0 g (0.04 mol) was dropped from the dropping funnel and then toluene 50.0g was added. After cooling for 1 hour in an ice-water bath, using a 5C filter paper, suction filtered through a Kiriyama funnel, the filtrate was washed with 2 volumes of cold water. The obtained filtrate was dried under reduced pressure at 80 C. for 4 hours and got 3.94 g of crystals. When 19F-NMR analyzed this crystal, it was 3-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid: 99.9 mol%, 5-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid: 0.1 mol%. The toluene layer obtained by separating the filtrate into two layers, after concentrated in an evaporator, dried under reduced pressure at 80 C for 4 hours, got 0.28 g of crystals. When this crystal analyzed by NMR equally, it was 3-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid: 18.8 mole %, 5-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid 81.2 mol%.

Reference： [1]Patent: JP5830957,2015,B2 .Location in patent: Paragraph 0041

17
methyl 3-trichloromethyl-1-methyl-1H-pyrazole-4-carboxylate [ No CAS ]
[ 113100-53-1 ]
[ 119083-00-0 ]

Yield	Reaction Conditions	Operation in experiment
119.75 mg	With pyridine; hydrogen fluoride; at 125 - 155℃;	200 g of methyl 3-trichloromethyl-1H-methylpyrazole-4-carboxylate prepared in Example 14 (GC purity: 91.8%0.713 mol) was heated to 125 C to 130 C so that 3-trichloromethyl-1H-methylpyrazole-4-Carboxylic acid methyl ester melts. A mixture of 13.00 g of pyridine (0.164 mol) and methyl 3-trichloromethyl-1H-methylpyrazole-4-carboxylateThe mixture was homogeneously mixed and further heated to 130 C to 155 C. When the system temperature reaches 130 ~ 155 , to maintainAt this temperature, 55.00 g of HF (2.749 mol) was slowly added dropwise, followed by dropping for about 5 to 6 hours, and then, at 130 C to 155 CInsulation 5 to 8 hours.After the end of the reaction, the venting pressure, nitrogen purge, the exhaust gas is absorbed by the lye. Cooling to 60 ~ 80 , adding350 g of xylene and 60 g of water to dilute the reaction solution, slowly dropping 125.00 g of sodium hydroxide at a mass concentration of 30%Aqueous solution (said mass concentration refers to the mass of sodium hydroxide as a percentage of the total mass of the aqueous sodium hydroxide solution)After stirring for 1 hour at 50 to 70 C, the mixture was separated and the aqueous phase was concentrated at a mass concentration of 36% concentrated hydrochloric acid (said mass concentrationRefers to the mass of hydrogen chloride as a percentage of the total mass of concentrated hydrochloric acid) to pH = 1.0. Cooling to 10 ~ 25 , filtration,Dried in vacuo to give 119.75 g of3-trifluoromethyl-lH-methylpyrazole-4-carboxylic acid(Yield: 85.7%, HPLC purity:99.1%; isomer 5-trifluoromethyl-1H-methylpyrazole-4-carboxylic acid HPLC purity: 0.05%).

Reference： [1]Patent: CN106467492,2017,A .Location in patent: Paragraph 0215; 0216; 0217

18
(3S,4R)-tert-butyl 4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate [ No CAS ]
[ 119083-00-0 ]
tert-butyl (3S,4R)-3-(4-fluorophenyl)-4-(1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
403 mg	With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 15h;	A mixture of tert-butyl (3S,4R)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate (275 mg), <strong>[119083-00-0]1-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid</strong> (236 mg), HATU (497 mg), triethylamine (0.3 mL) and DMF (4 mL) was stirred at room temperature for 15 hours. The reaction mixture was diluted with a saturated aqueous solution of sodium bicarbonate, followed by extraction with ethyl acetate. The extract was washed with saturated brine and dried over anhydrous magnesium sulfate, and the solvent was distilled off under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate/hexane) to obtain the title compound (403mg). MS: [M-H]- 469.3

Reference： [1]Patent: EP3530655,2019,A1 .Location in patent: Paragraph 0088

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P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
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:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
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:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
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. 119083-00-0 ]

Quality Control of [ 119083-00-0 ]

Related Doc. of [ 119083-00-0 ]

Product Details of [ 119083-00-0 ]

Calculated chemistry of [ 119083-00-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 119083-00-0 ]

Application In Synthesis of [ 119083-00-0 ]

[ 119083-00-0 ] Synthesis Path-Upstream 1~7

[ 119083-00-0 ] Synthesis Path-Downstream 1~18

Related Functional Groups of [ 119083-00-0 ]

Fluorinated Building Blocks

Carboxylic Acids

Trifluoromethyls

Related Parent Nucleus of [ 119083-00-0 ]

Pyrazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 119083-00-0 ]

Related Parent Nucleus of
[ 119083-00-0 ]