[ CAS No. 218156-96-8 ] {[proInfo.proName]}

Name: 218156-96-8|N-(2-(Piperidin-1-yl)-5-(trifluoromethyl)phenyl)isonicotinamide|98%
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Quality Control of [ 218156-96-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 218156-96-8 ]

Product Details of [ 218156-96-8 ]

CAS No. :	218156-96-8	MDL No. :	MFCD00116244
Formula :	C₁₈H₁₈F₃N₃O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DWFGGOFPIISJIT-UHFFFAOYSA-N
M.W :	349.35	Pubchem ID :	2797577
Synonyms :	SRPK inhibitor

Calculated chemistry of [ 218156-96-8 ]

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.33
Num. rotatable bonds :	5
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	92.9
TPSA :	45.23 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.92 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.81
Log Po/w (XLOGP3) :	3.54
Log Po/w (WLOGP) :	4.92
Log Po/w (MLOGP) :	3.02
Log Po/w (SILICOS-IT) :	3.66
Consensus Log Po/w :	3.59

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.26
Solubility :	0.0191 mg/ml ; 0.0000548 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.17
Solubility :	0.0234 mg/ml ; 0.0000669 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.11
Solubility :	0.000269 mg/ml ; 0.000000769 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.38

Safety of [ 218156-96-8 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 218156-96-8 ]

* 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 [ 218156-96-8 ]
Downstream synthetic route of [ 218156-96-8 ]

[ 218156-96-8 ] Synthesis Path-Upstream 1~4

1
[ 1496-40-8 ]
[ 39178-35-3 ]
[ 218156-96-8 ]

Yield	Reaction Conditions	Operation in experiment
86.3%	With triethylamine In dichloromethane at 0℃; for 0.5 h;	Isonicotinoyl chloride hydrochloride (6.48 g, 36.4 mmol, commercially available product) and triethylamine (5.57 ml, 54.6 mmol) were sequentially added at 0°C to a dichloromethane (10 ml) solution of 2-(1-piperidinyl)-5-(trifluoromethyl)aniline (4.45 g, 18.2 mmol) obtained as described in Referential Example 1-2B. The mixture was stirred for half an hour. Water was added to the mixture, and the resulting mixture was extracted three times with ethyl acetate. The obtained organic layer was washed with a saturated sodium chloride solution, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (200 g, hexane/ethyl acetate = 1/1) and recrystallization. Thus, N-[2-(1-piperidinyl)-5-(trifluoromethyl) phenyl]isonicotinamide (SRPIN-1, GIF-0340) (5.49 g, 86.3percent) was yielded as a colorless solid.
75%	With triethylamine In dichloromethane at 0 - 20℃; for 3 h;	A 25 mL round bottom flask initiallyplaced in an ice bath was charged with 0.629 g (3.389 mmol) ofisonicotinoyl chloride hydrochloride, 0.800 mL of triethylamine,8.00 mL of dichoromethane and 0.400 (1.64 mmol) of 2-(piperidin-1-yl)-5-(trifluoromethyl) aniline (8). The ice-bathwas removed andthe mixture was magnetically stirred at room temperature for 3 h.Then, 10.0 mL of distilled water was added, and the mixture wastransferred to a separatory funnel. The aqueous layer was extractedwith ethyl acetate (4 x 30.0 mL). The organic extracts were combinedand the resulting organic layer was washed with brine, driedover sodium sulphate, filtered, and concentrated under reducedpressure. The residue was purified by silica gel column chromatographyeluted with hexane-ethyl acetate (3:1 v/v). The solid wasfurther recrystallized with acetone. The compound SRPIN340 wasobtained as a white solid in 75percent yield (430 mg, 1.23 mmol).TLC Rf = 0.13 (hexane - ethyl acetate 3:1 v/v). mp 95.6-96.7 °C.IR (ATR, cm-1) νmax: 3347, 2945, 2917, 2811, 1679, 1611, 1587, 1556,1527, 1455, 1434, 1380, 1334, 1308, 1239, 1165, 1107, 1093, 1061,1022, 915, 895, 878, 839, 826, 751, 728, 681, 662, 644. 1H NMR(300 MHz, CDCl3) δ: 1.65-1.81 (m, 6H), 2.86 (t, 4H, J = 5.1 Hz), 7.28(d, 1H, J = 8.4 Hz), 7.37 (dd, 1H, J = 8.4 Hz and J = 1.8 Hz), 7.76 (dd,2H, J = 4.5 Hz and J = 1.5 Hz), 8.83-8.85 (m, 3H), 9.55 (s, 1H, NH).13C NMR (75 MHz, CDCl3) δ: 24.0, 27.1, 53.8, 116.6, 120.8, 121.1, 121.6(q, J _C-F=3.7 Hz), 124.2 (q, J _C-F= 270.5 Hz), 127.5 (q, J _C-F= 32.3 Hz),133.4, 141.8, 145.9, 151.1, 163.0. HRMS (M + H+): Calculated forC18H19F3N3O, 350.1480; found: 350.1420.
33.9%	With dmap; triethylamine In dichloromethane at 0 - 20℃; for 19.5 h;	Isonicotinoyl chloride hydrochloride (151 mg, 0.850 mmol, commercially available product), triethylamine (450 μl, 3.23 mmol), and a catalytic amount of 4-(dimethylamino)pyridine were sequentially added at 0°C to a dichloromethane (5 ml) solution of 2-(1-piperidinyl)-5-(trifluoromethyl)aniline (173 mg, 0.708 mmol), obtained as described in Referential Example 1-2A. The resulting mixture was warmed to room temperature and stirred for 19.5 hours. Water was added to the mixture, and the resulting mixture was extracted three times with ethyl acetate. The obtained organic layer was washed with a saturated aqueous solution of sodium bicarbonate, dried over Na₂SO₄, filtered, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (10 g, hexane/ethyl acetate = 1.5/1) and recrystallization (hexane). Thus, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinamide (SRPIN-1, code name GIF-0340) (83.8 mg, 0.240 mmol, 33.9percent) was yielded as a colorless solid. The melting point, and results of TLC and ¹H NMR (CDCl₃, 400 MHz), are as follows: m.p. 96-98°C; TLC R_f 0.40 (hexane/ethyl acetate = 1/1); ¹H NMR (CDCl₃, 400 MHz) δ 1.67-1.68 (m, 2H, CH₂), 1.78 (tt, 4H, J = 5.5, 5.5 Hz, 2CH₂), 2.88 (t, 4H, J = 5.5 Hz, 2CH₂), 7.29 (d, 1H, J = 8.2 Hz, aromatic), 7.40 (dd, 1H, J = 1.8, 8.2 Hz, aromatic), 7.76 (dd, 2H, J = 2.0, 4.4 Hz, aromatic), 8.86 (dd, 2H, J = 2.0, 4.4 Hz, aromatic), 8.87 (d, 1H, J = 1.8 Hz, aromatic), 9.53 (s, 1H, NH).

Reference： [1] Patent: EP1712242, 2006, A1, . Location in patent: Page/Page column 18; 31
[2] European Journal of Medicinal Chemistry, 2017, vol. 134, p. 97 - 109
[3] Patent: EP1712242, 2006, A1, . Location in patent: Page/Page column 18; 30; 31
[4] Patent: EP2279750, 2011, A1,

2
[ 367-86-2 ]
[ 218156-96-8 ]

Reference： [1] European Journal of Medicinal Chemistry, 2017, vol. 134, p. 97 - 109

3
[ 1692-79-1 ]
[ 218156-96-8 ]

Reference： [1] European Journal of Medicinal Chemistry, 2017, vol. 134, p. 97 - 109

4
[ 110-89-4 ]
[ 218156-96-8 ]

Reference： [1] European Journal of Medicinal Chemistry, 2017, vol. 134, p. 97 - 109

[ 218156-96-8 ] Synthesis Path-Downstream 1~6

1
[ 1496-40-8 ]
[ 39178-35-3 ]
[ 218156-96-8 ]

Yield	Reaction Conditions	Operation in experiment
86.3%	With triethylamine; In dichloromethane; at 0℃; for 0.5h;Product distribution / selectivity;	Isonicotinoyl chloride hydrochloride (6.48 g, 36.4 mmol, commercially available product) and triethylamine (5.57 ml, 54.6 mmol) were sequentially added at 0C to a dichloromethane (10 ml) solution of <strong>[1496-40-8]2-(1-piperidinyl)-5-(trifluoromethyl)aniline</strong> (4.45 g, 18.2 mmol) obtained as described in Referential Example 1-2B. The mixture was stirred for half an hour. Water was added to the mixture, and the resulting mixture was extracted three times with ethyl acetate. The obtained organic layer was washed with a saturated sodium chloride solution, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (200 g, hexane/ethyl acetate = 1/1) and recrystallization. Thus, N-[2-(1-piperidinyl)-5-(trifluoromethyl) phenyl]isonicotinamide (SRPIN-1, GIF-0340) (5.49 g, 86.3%) was yielded as a colorless solid.
75%	With triethylamine; In dichloromethane; at 0 - 20℃; for 3h;	A 25 mL round bottom flask initiallyplaced in an ice bath was charged with 0.629 g (3.389 mmol) ofisonicotinoyl chloride hydrochloride, 0.800 mL of triethylamine,8.00 mL of dichoromethane and 0.400 (1.64 mmol) of 2-(piperidin-1-yl)-5-(trifluoromethyl) aniline (8). The ice-bathwas removed andthe mixture was magnetically stirred at room temperature for 3 h.Then, 10.0 mL of distilled water was added, and the mixture wastransferred to a separatory funnel. The aqueous layer was extractedwith ethyl acetate (4 x 30.0 mL). The organic extracts were combinedand the resulting organic layer was washed with brine, driedover sodium sulphate, filtered, and concentrated under reducedpressure. The residue was purified by silica gel column chromatographyeluted with hexane-ethyl acetate (3:1 v/v). The solid wasfurther recrystallized with acetone. The compound SRPIN340 wasobtained as a white solid in 75% yield (430 mg, 1.23 mmol).TLC Rf = 0.13 (hexane - ethyl acetate 3:1 v/v). mp 95.6-96.7 C.IR (ATR, cm-1) numax: 3347, 2945, 2917, 2811, 1679, 1611, 1587, 1556,1527, 1455, 1434, 1380, 1334, 1308, 1239, 1165, 1107, 1093, 1061,1022, 915, 895, 878, 839, 826, 751, 728, 681, 662, 644. 1H NMR(300 MHz, CDCl3) delta: 1.65-1.81 (m, 6H), 2.86 (t, 4H, J = 5.1 Hz), 7.28(d, 1H, J = 8.4 Hz), 7.37 (dd, 1H, J = 8.4 Hz and J = 1.8 Hz), 7.76 (dd,2H, J = 4.5 Hz and J = 1.5 Hz), 8.83-8.85 (m, 3H), 9.55 (s, 1H, NH).13C NMR (75 MHz, CDCl3) delta: 24.0, 27.1, 53.8, 116.6, 120.8, 121.1, 121.6(q, J C-F =3.7 Hz), 124.2 (q, J C-F = 270.5 Hz), 127.5 (q, J C-F = 32.3 Hz),133.4, 141.8, 145.9, 151.1, 163.0. HRMS (M + H+): Calculated forC18H19F3N3O, 350.1480; found: 350.1420.
33.9%	With dmap; triethylamine; In dichloromethane; at 0 - 20℃; for 19.5h;Product distribution / selectivity;	Isonicotinoyl chloride hydrochloride (151 mg, 0.850 mmol, commercially available product), triethylamine (450 mul, 3.23 mmol), and a catalytic amount of 4-(dimethylamino)pyridine were sequentially added at 0C to a dichloromethane (5 ml) solution of <strong>[1496-40-8]2-(1-piperidinyl)-5-(trifluoromethyl)aniline</strong> (173 mg, 0.708 mmol), obtained as described in Referential Example 1-2A. The resulting mixture was warmed to room temperature and stirred for 19.5 hours. Water was added to the mixture, and the resulting mixture was extracted three times with ethyl acetate. The obtained organic layer was washed with a saturated aqueous solution of sodium bicarbonate, dried over Na2SO4, filtered, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (10 g, hexane/ethyl acetate = 1.5/1) and recrystallization (hexane). Thus, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinamide (SRPIN-1, code name GIF-0340) (83.8 mg, 0.240 mmol, 33.9%) was yielded as a colorless solid. The melting point, and results of TLC and 1H NMR (CDCl3, 400 MHz), are as follows: m.p. 96-98C; TLC Rf 0.40 (hexane/ethyl acetate = 1/1); 1H NMR (CDCl3, 400 MHz) delta 1.67-1.68 (m, 2H, CH2), 1.78 (tt, 4H, J = 5.5, 5.5 Hz, 2CH2), 2.88 (t, 4H, J = 5.5 Hz, 2CH2), 7.29 (d, 1H, J = 8.2 Hz, aromatic), 7.40 (dd, 1H, J = 1.8, 8.2 Hz, aromatic), 7.76 (dd, 2H, J = 2.0, 4.4 Hz, aromatic), 8.86 (dd, 2H, J = 2.0, 4.4 Hz, aromatic), 8.87 (d, 1H, J = 1.8 Hz, aromatic), 9.53 (s, 1H, NH).

With triethylamine; In dichloromethane; water;

[Reference example 1-3B] Isonicotinoyl chloride hydrochloride (6.48 g, 36.4 mmol; commercial product) and triethylamine (5.57 mL, 54.6 mmol) were added sequentially at 0C to a dichloromethane (10 mL) solution of <strong>[1496-40-8]2-(1-piperidinyl)-5-(trifluoromethyl)aniline</strong> (4.45 g, 18.2 mmol) obtained in Reference example 1-2B. The mixture was stirred for 0.5 hours. Water was added to the mixture and then the mixture was subjected to extraction with ethyl acetate (x3). The thus obtained organic layer was washed with saturated sodium chloride solution, dried using anhydrous sodium sulfate, filtered, and then concentrated under reduced pressure. The residue was purified by silica gel column chromatography (200 g, hexane/ethyl acetate = 1/1) and recrystallization (hexane), so that N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinamide (Compound 1) (5.49 g, 86.3%) was obtained as colorless solid.

Reference： [1]Patent: EP1712242,2006,A1 .Location in patent: Page/Page column 18; 31
[2]European Journal of Medicinal Chemistry,2017,vol. 134,p. 97 - 109
[3]Patent: EP1712242,2006,A1 .Location in patent: Page/Page column 18; 30; 31
[4]Patent: EP2279750,2011,A1

2
[ 218156-96-8 ]
N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinthioamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
33.7%		Lawesson's reagent (328 mg, 0.811 mmol, commercially available product) was added to a toluene (2.5 ml) solution of <strong>[218156-96-8]N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinamide</strong> (SRPIN-1, GIF-0340) (528 mg, 1.51 mmol), obtained as described in Referential Example 1-3, and the resulting mixture was stirred with refluxing at 100C for 12 hours. The mixture was cooled to room temperature, and then an aqueous solution of 2 M sodium hydroxide was added thereto to alkalify the solution. The mixture was reverse extracted three times with an aqueous solution of 12 M sodium hydroxide. 2 M hydrochloric acid was added to the aqueous layer to acidify the solution. Then, the resulting mixture was extracted three times with ether. The obtained organic layer was washed with a saturated sodium chloride solution, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (50 g, hexane/ethyl acetate = 1/1). Thus, N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinthioamide (GIF-0616) (186 mg, 33.7%) was yielded as a colorless solid. The melting point, and results of TLC and 1H NMR (CDCl3, 400 MHz), are as follows: m.p. 108-109C; TLC Rf 0.27 (hexane/ethyl acetate = 1/1); 1H NMR (CDCl3, 400 MHz) delta 1.61-1.62 (m, 2H, CH2), 1.68 (tt, 4H, J = 5.0, 5.0 Hz, 2CH2), 2.87 (t, 4H, J = 5.0 Hz, 2CH2), 7.32 (d, 1H, J = 7.8 Hz, aromatic), 7.51 (dd, 1H, J = 1.6 Hz, aromatic), 7.71 (dd, 2H, J = 1.6, 6.4 Hz, aromatic), 8.76 (dd, 2H, J = 1.6, 6.4 Hz, aromatic), 9.58 (d, 1H, J = 1.6 Hz, aromatic), 10.5 (s, 1H, NH).

Reference： [1]Patent: EP1712242,2006,A1 .Location in patent: Page/Page column 40

3
[ 19172-47-5 ]
[ 218156-96-8 ]
N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinthioamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium hydroxide; In toluene;	[Reference example 2] Synthesis of Compound 2 Lawesson's reagent (328 mg, 0.811 mmol; commercial product) was added to a toluene (2.5 mL) solution of N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl] -isonicotinamide (Compound 1) (528 mg, 1.51 mmol) obtained in Reference example 1-3. The mixture was stirred under reflux at 100C for 12 hours. After the mixture was left to room temperature, a 2 M aqueous sodium hydroxide solution was added to the mixture, so as to make it alkaline. The mixture was further subjected to backward extraction with a 12 M aqueous sodium hydroxide solution (x3). Hydrochloric acid (2 M) was added to the thus obtained aqueous layer, so as to make it acidic. Then the mixture was subjected to extraction with ether (x3). The thus obtained organic layer was washed with saturated sodium chloride solution, dried using anhydrous sodium sulfate, filtered, and then concentrated under reduced pressure. The residue was purified by silica gel column chromatography (50 g, hexane/ethyl acetate = 1/1), so that N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]isonicotinthioamide (Compound 2) (186 mg, 33.7%) was obtained as a colorless solid. The results of the melting point, TLC, 1H NMR (CDCl3, 400 MHz), and IR are as follows. Melting point 108-109 C; TLC Rf 0.27 (hexane /ethyl acetate =1/1);1H NMR (CDCl3, 400 MHz) delta1.61-1.62 (m, 2H, CH2), 1.68 (tt, 4H, J = 5.0, 5.0 Hz, 2CH2), 2.87 (t, 4H, J = 5.0 Hz, 2CH2), 7.32 (d, 1H, J = 7.8 Hz, aromatic), 7.51 (dd, 1H, J = 1.6, 7.8 Hz, aromatic), 7.71 (dd, 2H, J = 1.6, 6.4 Hz, aromatic), 8.76 (dd, 2H, J = 1.6, 6.4 Hz, aromatic), 9.58 (d, 1H, J = 1.6 Hz, aromatic), 10.5 (s, 1H, NH); IR (KBr, cm-1) 741, 826, 891, 1013, 1076, 1125, 1167, 1233, 1271, 1335, 1377, 1410, 1437, 1462, 1526, 1591, 1616,2820,2851,2938,3163.

Reference： [1]Patent: EP2279750,2011,A1

4
[ 367-86-2 ]
[ 218156-96-8 ]

Reference： [1]European Journal of Medicinal Chemistry,2017,vol. 134,p. 97 - 109

5
[ 1692-79-1 ]
[ 218156-96-8 ]

Reference： [1]European Journal of Medicinal Chemistry,2017,vol. 134,p. 97 - 109

6
[ 110-89-4 ]
[ 218156-96-8 ]

Reference： [1]European Journal of Medicinal Chemistry,2017,vol. 134,p. 97 - 109

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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. 218156-96-8 ] {[proInfo.proName]}

Quality Control of [ 218156-96-8 ]

Related Doc. of [ 218156-96-8 ]

Product Details of [ 218156-96-8 ]

Calculated chemistry of [ 218156-96-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 218156-96-8 ]

Application In Synthesis of [ 218156-96-8 ]

[ 218156-96-8 ] Synthesis Path-Upstream 1~4

[ 218156-96-8 ] Synthesis Path-Downstream 1~6

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry