[ CAS No. 13788-84-6 ] {[proInfo.proName]}

Name: 13788-84-6|3-Methyl-4-phenyl-1H-pyrazole|98%
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Quality Control of [ 13788-84-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 13788-84-6 ]

Product Details of [ 13788-84-6 ]

CAS No. :	13788-84-6	MDL No. :	MFCD00051752
Formula :	C₁₀H₁₀N₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XTXZCNATVCIKTR-UHFFFAOYSA-N
M.W :	158.20	Pubchem ID :	139601
Synonyms :

Calculated chemistry of [ 13788-84-6 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	11
Fraction Csp3 :	0.1
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	48.99
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) :	-5.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.38
Log Po/w (XLOGP3) :	2.24
Log Po/w (WLOGP) :	2.39
Log Po/w (MLOGP) :	1.77
Log Po/w (SILICOS-IT) :	3.06
Consensus Log Po/w :	2.17

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.84
Solubility :	0.226 mg/ml ; 0.00143 mol/l
Class :	Soluble
Log S (Ali) :	-2.48
Solubility :	0.526 mg/ml ; 0.00333 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.13
Solubility :	0.0118 mg/ml ; 0.0000748 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.75

Safety of [ 13788-84-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 13788-84-6 ]

* 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 [ 13788-84-6 ]
Downstream synthetic route of [ 13788-84-6 ]

[ 13788-84-6 ] Synthesis Path-Upstream 1~13

1
[ 4545-21-5 ]
[ 75-20-7 ]
[ 13788-84-6 ]
[ 13808-62-3 ]

Reference： [1] Green Chemistry, 2016, vol. 18, # 24, p. 6445 - 6449

2
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Reference： [1] Green Chemistry, 2016, vol. 18, # 24, p. 6445 - 6449

3
[ 408314-96-5 ]
[ 13788-84-6 ]

Reference： [1] Gazzetta Chimica Italiana, 1957, vol. 87, p. 720,724
[2] Journal of the American Chemical Society, 1950, vol. 72, p. 3843,3844
[3] Gazzetta Chimica Italiana, 1957, vol. 87, p. 720,724
[4] Journal of the American Chemical Society, 1950, vol. 72, p. 3843,3844

4
[ 705-60-2 ]
[ 13788-84-6 ]

Reference： [1] Journal of the American Chemical Society, 1950, vol. 72, p. 3843,3844

5
[ 831-84-5 ]
[ 68-12-2 ]
[ 13788-84-6 ]

Reference： [1] Russian Journal of General Chemistry, 2005, vol. 75, # 3, p. 412 - 416

6
[ 75-20-7 ]
[ 98-86-2 ]
[ 1576-35-8 ]
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[ 13808-62-3 ]

Reference： [1] Green Chemistry, 2016, vol. 18, # 24, p. 6445 - 6449

7
[ 103-79-7 ]
[ 13788-84-6 ]

Reference： [1] Russian Journal of General Chemistry, 2005, vol. 75, # 3, p. 412 - 416

8
[ 63726-68-1 ]
[ 13788-84-6 ]

Reference： [1] Gazzetta Chimica Italiana, 1957, vol. 87, p. 720,724

9
[ 114554-24-4 ]
[ 13788-84-6 ]

Reference： [1] Gazzetta Chimica Italiana, 1957, vol. 87, p. 720,724

10
[ 110-91-8 ]
[ 79815-54-6 ]
[ 13788-84-6 ]
[ 79815-71-7 ]

Reference： [1] Journal of Organic Chemistry, 1982, vol. 47, # 2, p. 295 - 300

11
[ 4545-21-5 ]
[ 75-20-7 ]
[ 13788-84-6 ]
[ 13808-62-3 ]

Reference： [1] Green Chemistry, 2016, vol. 18, # 24, p. 6445 - 6449

12
[ 22293-10-3 ]
[ 75-20-7 ]
[ 13788-84-6 ]
[ 13808-62-3 ]

Reference： [1] Green Chemistry, 2016, vol. 18, # 24, p. 6445 - 6449

13
[ 75-20-7 ]
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[ 1576-35-8 ]
[ 13788-84-6 ]
[ 13808-62-3 ]

Reference： [1] Green Chemistry, 2016, vol. 18, # 24, p. 6445 - 6449

[ 13788-84-6 ] Synthesis Path-Downstream 1~32

1
[ 408314-96-5 ]
[ 13788-84-6 ]

Reference： [1]Gazzetta Chimica Italiana,1957,vol. 87,p. 720,724
[2]Gazzetta Chimica Italiana,1957,vol. 87,p. 720,724

2
[ 63726-68-1 ]
[ 13788-84-6 ]

Reference： [1]Gazzetta Chimica Italiana,1957,vol. 87,p. 720,724

3
[ 13788-84-6 ]
[ 7510-56-7 ]

Reference： [1]Journal of the American Chemical Society,1950,vol. 72,p. 3843,3844

4
[ 114554-24-4 ]
[ 13788-84-6 ]

Reference： [1]Gazzetta Chimica Italiana,1957,vol. 87,p. 720,724

5
[ 110-91-8 ]
[ 79815-54-6 ]
[ 13788-84-6 ]
[ 79815-71-7 ]

Reference： [1]Journal of Organic Chemistry,1982,vol. 47,p. 295 - 300

6
[ 13788-84-6 ]
3-methyl-4-p-nitrophenylpyrazole [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 371 - 376

7
[ 13788-84-6 ]
3-methyl-4-p-nitrophenylpyrazole [ No CAS ]
3-methyl-4-(2',4'-dinitrophenyl)pyrazole [ No CAS ]

Reference： [1]Heterocycles,1988,vol. 27,p. 371 - 376

8
[ 13788-84-6 ]
[ 141699-59-4 ]
[ 180695-75-4 ]
[ 180695-76-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

10
2-diazo-1-<3-methyl-4-phenyl-3,4-dihydro-2<i>H</i>-pyrazol-3-yl>-ethanone [ No CAS ]
[ 13788-84-6 ]

Reference： [1]Journal of the American Chemical Society,1959,vol. 81,p. 6026

11
[ 831-84-5 ]
[ 68-12-2 ]
[ 13788-84-6 ]

Reference： [1]Russian Journal of General Chemistry,2005,vol. 75,p. 412 - 416

12
[ 103-79-7 ]
[ 13788-84-6 ]

Reference： [1]Russian Journal of General Chemistry,2005,vol. 75,p. 412 - 416

13
[ 13788-84-6 ]
1-benzyl-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

14
[ 13788-84-6 ]
1-benzyl-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

15
[ 13788-84-6 ]
1-(3-chlorobenzyl)-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

16
[ 13788-84-6 ]
1-(3-chlorobenzyl)-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

17
[ 13788-84-6 ]
1-(3-cyanobenzyl)-4-(3-methyl-4-phenylpyrazol-1-yl)piperidine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

18
[ 13788-84-6 ]
1-(3-cyanobenzyl)-4-(5-methyl-4-phenylpyrazol-1-yl)piperidine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

19
[ 13788-84-6 ]
4-((5-Methyl-4-phenyl)pyrazol-1-yl)piperidine hydrochloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

20
[ 13788-84-6 ]
4-((3-Methyl-4-phenyl)pyrazol-1-yl)piperidine hydrochloride [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1285 - 1290

21
[ 705-60-2 ]
[ 13788-84-6 ]

Reference： [1]Journal of the American Chemical Society,1950,vol. 72,p. 3843,3844

22
[ 263555-05-1 ]
[ 13788-84-6 ]
4-chloro-5-[1-oxo-3-(3-methyl-4-phenyl-1-pyrazolyl)-2-cyclohexen-2-yl]carbonyl-2,3-dihydrobenzothiophene-1,1-dioxide [ No CAS ]

Reference： [1]Patent: EP1182203,2002,A1 .Location in patent: Example 6

23
[ 415913-36-9 ]
[ 13788-84-6 ]
[ 616878-53-6 ]

Yield	Reaction Conditions	Operation in experiment
21%	With copper diacetate; triethylamine; In dichloromethane; at 20℃; for 72h;	A mixture of 4-{2-[([(4-methylphenyl)sulfonyl]amino}carbonyl)oxy]ethyl}phenylboronic acid (200 mg, 0.55 mmol), <strong>[13788-84-6]3-methyl-4-phenylpyrazole</strong> (87 mg, 0.55 mmol), Copper(II) acetate (120 mg, 0.66 mmol), triethylamine (0.23 mL, 1.65 mmol), molecular sieves 4A (200 mg), and dichloromethane (8 mL) was stirred at room temperature for 3 days. After filtration through a bed of celite, the filtrate was diluted with dichloromethane, and washed with water. The organic fraction was dried over MgSO4. After concentration under reduced pressure, the residue was purified by TLC with dichloromethane/ethylacetate (10:1) to afford 56 mg (21%) of the title compound as white solids

Reference： [1]Patent: US2004/19045,2004,A1 .Location in patent: Page 52

24
[ 13788-84-6 ]
[ 6046-93-1 ]
[Cu(acetate)2(3-methyl-4-phenylpyrazole)]2 [ No CAS ]

Reference： [1]Inorganic Chemistry,2004,vol. 43,p. 5865 - 5876

25
[ 13788-84-6 ]
[ 6046-93-1 ]
[Cu(acetate)2(3-methyl-4-phenylpyrazole)2] [ No CAS ]

Reference： [1]Inorganic Chemistry,2004,vol. 43,p. 5865 - 5876

26
[ 13788-84-6 ]
[ 1849-01-0 ]
[ 1332624-72-2 ]

Reference： [1]Journal of Organic Chemistry,2011,vol. 76,p. 8262 - 8269

27
[ 1312478-48-0 ]
[ 13788-84-6 ]
[ 1402636-23-0 ]

Yield	Reaction Conditions	Operation in experiment
19.3%	With caesium carbonate; In tetrahydrofuran; at 70℃;	Example 4(2R)-N-hvdroxy-2-methyl-4-(3-methyl-4-phenyl-1 H-pyrazol-1-yl)-2-Step A: ethyl (2R)-2-methyl-4-(3-methyl-4-phenyl-1 H-pyrazol-1 -yl)-2-(methylsulfonvDbutanoateTo a solution of the <strong>[13788-84-6]3-methyl-4-phenylpyrazole</strong> (400 mg, 2.53 mmol, 1 eq) in THF (25 mL) was added cesium carbonate (2.52 g, 7.70 mmol, 3 eq) and (R)-ethyl 4-bromo-2-methyl-2-(methylsulfonyl)butanoate (950 mg, 3.31 mmol, 1 .3 eq). The resulting suspension was heated to 70 C and stirred overnight. The reaction was filtered through celite, and the filter pad was washed with ethyl acetate (2x 100 mL). Combined filtrates were concentrated and the crude material was purified on a Analogix SF15-24g column using an eluant of ethyl acetate in heptane (0-80%) to give ethyl (2R)-2-methyl-4-(3-methyl-4-phenyl-1 H-pyrazol-1 -yl)-2- (methylsulfonyl)butanoate (178 mg, 19.3%). LC-MS M+H+ 365.1

Reference： [1]Patent: WO2012/137099,2012,A1 .Location in patent: Page/Page column 44

28
[ 13788-84-6 ]
[ 75732-01-3 ]
[ 166330-10-5 ]
(oxybis(2,1-phenylene))bis(diphenylphosphine)copper(I) (3-methyl-4-phenyl)pyrazolate dimer [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
0.66 g	In toluene; at 60 - 90℃;Glovebox; Inert atmosphere;	In a nitrogen-purged glove box, (oxybis(2,1-phenylene))bis(diphenylphosphine) (1.0 g, 1.85 mmol) and toluene (30 mL) were added to a glass jar, equipped with a PTFE-coated stir bar. While stirring, mesitylcopper(I) (0.31 g, 1.70 mmol) was added. After a few minutes, <strong>[13788-84-6]3-methyl-4-phenyl-1H-pyrazole</strong> (0.30 g, 1.90) was added, and the resulting mixture was heated at 90C for 3 hours. The mixture was then cooled to 60C, and stirred overnight. After cooling to room temperature, the solid that had formed was collected by filtration. The isolated solid was rinsed with toluene, followed by hexanes, and dried at 70C, under vacuum, to afford the title compound (0.66 g). Crystals were grown by slow evaporation of dichloromethane, and characterized by single crystal X-Ray crystallography, supporting the above molecular structure.

Reference： [1]Patent: WO2016/57441,2016,A1 .Location in patent: Page/Page column 17; 18

29
[ 4545-21-5 ]
[ 75-20-7 ]
[ 13788-84-6 ]
[ 13808-62-3 ]

Reference： [1]Green Chemistry,2016,vol. 18,p. 6445 - 6449

30
[ 75-20-7 ]
[ 98-86-2 ]
[ 1576-35-8 ]
[ 13788-84-6 ]
[ 13808-62-3 ]

Reference： [1]Green Chemistry,2016,vol. 18,p. 6445 - 6449

31
[ 22293-10-3 ]
[ 75-20-7 ]
[ 13788-84-6 ]
[ 13808-62-3 ]

Reference： [1]Green Chemistry,2016,vol. 18,p. 6445 - 6449

32
[ 209733-17-5 ]
[ 13788-84-6 ]
[ 292638-85-8 ]
C₂₆H₂₇N₅O [ No CAS ]
1-(4-(isoquinolin-5-yl)piperazin-1-yl)-3-(3-methyl-4-phenyl -1H-pyrazol-1-yl)propan-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 3-Methyl-4-phenyl-1H-pyrazole; acrylic acid methyl ester With hydroquinone at 90℃; for 16h; Sealed tube; Stage #2: With sodium hydroxide In tetrahydrofuran; methanol; water at 20℃; for 1h; Stage #3: 5-(piperazin-1-yl)isoquinoline hydrochloride With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 16h; Inert atmosphere; Overall yield = 0.67 g;	1-(4-(Isoquinolin-5-yl)piperazin-1-yl)-3-(3-methyl-4-phenyl -1H-pyrazol-1-yl)propan-1-one (6) To a stirred solution of 3-(3-methyl-4-phenyl-1H-pyrazol-1-l)propanoic acid and 3-(5-methyl-4-phenyl-1H-pyrazol-1-yl)propanoic acid (6C and 6D, 0.2 g, 1.0780 mmol) in dichloromethane (25 mL)was added triethylamine (0.28 mL, 2.605 mmol), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (0.414g, 2.1712 mmol) and hydroxybenzotriazole (0.066 g, 0.4342 mmol) under nitrogen atmosphere. Thereaction mixture was stirred at room temperature for 16.0 h. After completion of starting material thereaction mixture was quenched with water (60 mL). The phases were separated and the product wasfurther extracted to dichloromethane. The combined organic layer was dried over anhydrous sodiumsulphate, filtered and concentrated under reduced pressure. The crude residue was purified by flashchromatography using 4 % methanol in dichloromethane as an eluent followed by preparative HPLCpurification (Column: CHIRALPAK IA( 250 mm X 4.6mm X 5μm), Mobile phase: n-Hexane : 0.1 % DEAin Ethanol (50:50), Flow rate: 1.0 mL/min). The appropriate fractions were collected and concentratedunder reduced pressure to afford 1-(4-(isoquinolin-5-yl)piperazin-1-yl)-3-(3-methyl-4-phenyl-1Hpyrazol-1-yl)propan-1-one as an off-white solid (6, 0.1 g, 26 %).1HNMR (400 MHz, DMSO-d6): δ 9.26 (s, 1H), 8.50 (d, J = 4.0 Hz, 1H), 7.92 (s, 2H), 7.78 (d, J = 8.4 Hz, 1H),7.55 (t, J = 7.6 Hz, 1H), 7.41 - 7.36 (m, 4H), 7.27 (d, J = 6.8 Hz, 1H), 7.20 - 7.19 (m, 1H), 4.31 (t, J = 6.4 Hz,2H), 3.73 - 3.70 (m, 4H), 2.95-296 (m, 6H), 2.28 (s, 3H). MS (ESI+) m/z 426.2 (M+H)+. HPLC purity: 99.1 %.

Reference： [1]Czech, Joerg; Dhakshinamoorthy, Saravanakumar; Hallur, Mahanandeesha S.; Kannt, Aimo; Kristam, Rajendra; Rajagopal, Sridharan; Ruf, Sven; Schreuder, Herman; Swamy, Indu; Zech, Gernot [Molecules, 2021, vol. 26, # 4]

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Ghs Precautionary Statements

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Code	Phrase
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P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
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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.
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P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 13788-84-6 ] {[proInfo.proName]}

Quality Control of [ 13788-84-6 ]

Related Doc. of [ 13788-84-6 ]

Product Details of [ 13788-84-6 ]

Calculated chemistry of [ 13788-84-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 13788-84-6 ]

Application In Synthesis of [ 13788-84-6 ]

[ 13788-84-6 ] Synthesis Path-Upstream 1~13

[ 13788-84-6 ] Synthesis Path-Downstream 1~32

Related Functional Groups of [ 13788-84-6 ]

Aryls

Related Parent Nucleus of [ 13788-84-6 ]

Pyrazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 13788-84-6 ]

Related Parent Nucleus of
[ 13788-84-6 ]