[ CAS No. 1618-36-6 ] {[proInfo.proName]}

Name: 1618-36-6|4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine|97%
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Quality Control of [ 1618-36-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1618-36-6 ]

Product Details of [ 1618-36-6 ]

CAS No. :	1618-36-6	MDL No. :	MFCD09264586
Formula :	C₇H₆ClN₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NISJMYPRXDUYTF-UHFFFAOYSA-N
M.W :	167.60	Pubchem ID :	14809282
Synonyms :

Calculated chemistry of [ 1618-36-6 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.14
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	43.86
TPSA :	41.57 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) :	-5.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.64
Log Po/w (XLOGP3) :	1.99
Log Po/w (WLOGP) :	1.92
Log Po/w (MLOGP) :	1.11
Log Po/w (SILICOS-IT) :	2.62
Consensus Log Po/w :	1.86

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.74
Solubility :	0.306 mg/ml ; 0.00183 mol/l
Class :	Soluble
Log S (Ali) :	-2.49
Solubility :	0.543 mg/ml ; 0.00324 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.53
Solubility :	0.049 mg/ml ; 0.000292 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.39

Safety of [ 1618-36-6 ]

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 [ 1618-36-6 ]

* 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 [ 1618-36-6 ]
Downstream synthetic route of [ 1618-36-6 ]

[ 1618-36-6 ] Synthesis Path-Upstream 1~3

1
[ 22276-95-5 ]
[ 74-88-4 ]
[ 1618-36-6 ]

Yield	Reaction Conditions	Operation in experiment
49.1%	Stage #1: With n-butyllithium In tetrahydrofuran at -78℃; for 0.583333 h; Stage #2: at 20℃;	PREPARATION 8; 4-Chloro-5-methyl-7H-pyrrolor2,3-dlpyrimidine <n="118"/>n-Butyllithium (4.08 ml, 6.52 mmol) was added dropwise to 5-bromo-4-chloro-7H- pyrrolo[2,3-d]pyrimidine (689mg, 2.96 mmol) in tetrahydrofuran (40ml) at -78⁰C over a period of 5 minutes under nitrogen. The resulting suspension was stirred at -78 ⁰C for 30 minutes. Methyl iodide (0.295 ml, 4.74 mmol) was added and the reaction was allowed to warm to ambient temperature. The reaction mixture was diluted with water (25 mL), and extracted with ethyl acetate (50 mL). The organic layer was washed with brine (25 mL) then dried over MgSO4, filtered and evaporated to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 20 to 50percent EtOAc in isohexane. Pure fractions were evaporated to dryness to afford 4-chloro-5-methyl-7H- pyrrolo[2,3-d]pyrimidine (244 mg, 49.1 percent) as a white solid. IH NMR (400.13 MHz, DMSO-d6) δ 2.42 (3H, d), 7.43 (IH, d), 8.51 (IH, s), 12.22 (IH, s)MS nVe MH⁺ 168
49.1%	Stage #1: With n-butyllithium In tetrahydrofuran at -78℃; for 0.583333 h; Stage #2: at -78 - 20℃;	PREPARATION J <n="110"/>4-chloro-5-methyl-7H-pyrrolor2,3-dlpyrimidine; n-Butyllithium (4.08 ml, 6.52 mmol) was added dropwise to 5-bromo-4-chloro-7H- pyrrolo[2,3-d]pyrimidine (689mg, 2.96 mmol) in tetrahydrofuran (40ml) at -78⁰C over a period of 5 minutes under nitrogen. The resulting suspension was stirred at -78 ⁰C for 30 minutes. Methyl iodide (0.295 ml, 4.74 mmol) was added and the reaction was allowed to warm to ambient temperature. The reaction mixture was diluted with water (25 mL), and extracted with ethyl acetate (50 mL). The organic layer was washed with brine (25 mL) then dried over MgSO4, filtered and evaporated to afford crude product. The crude product was purified by flash silica chromatography, elution gradient 20 to 50percent EtOAc in isohexane. Pure fractions were evaporated to dryness to afford 4-chloro-5-methyl-7H- pyrrolo[2,3-d]pyrimidine (244 mg, 49.1 percent) as a white solid.IH NMR (400.13 MHz, DMSO-d6) δ 2.42 (3H, d), 7.43 (IH, d), 8.51 (IH, s), 12.22 (IH, s) MS m/e MH⁺ 168

Reference： [1] Helvetica Chimica Acta, 1994, vol. 77, # 4, p. 897 - 903
[2] Patent: WO2008/75109, 2008, A1, . Location in patent: Page/Page column 115-116
[3] Patent: WO2008/75110, 2008, A1, . Location in patent: Page/Page column 107-108
[4] Journal of Medicinal Chemistry, 1990, vol. 33, # 7, p. 1984 - 1992
[5] Patent: WO2012/80735, 2012, A1, . Location in patent: Page/Page column 24
[6] Patent: WO2015/143712, 2015, A1, . Location in patent: Page/Page column 39; 40

2
[ 3680-69-1 ]
[ 1618-36-6 ]

Reference： [1] Helvetica Chimica Acta, 1994, vol. 77, # 4, p. 897 - 903
[2] Patent: WO2012/80735, 2012, A1,
[3] Patent: WO2015/143712, 2015, A1,

3
[ 1618-36-6 ]
[ 115093-90-8 ]

Yield	Reaction Conditions	Operation in experiment
83%	With N-chloro-succinimide In dichloromethane at 43℃; for 8 h;	A. Preparation of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine; Following the procedure in Pdulo, J. S.; Saxena, N. K.; Nassiri, M. R.; Turk, S. R.; Drach, J. C.; Townsend, L. B. J. Med. Chem. 31:2086 (1988), 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (Example 1A, 20. g, 0.13 mol) was suspended in anhydrous dichloromethane (500 mL), followed by addition of N-chlorosuccinimide (20.8 g, 0.160 mol). The reaction mixture was refluxed at 43° C. for 8 hours. The reaction was cooled down, and the white solid was filtered, washed with dichloromethane (300 mL), and dried to give 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine (20 g, 83percent)

Reference： [1] Patent: US2006/189638, 2006, A1, . Location in patent: Page/Page column 10

[ 1618-36-6 ] Synthesis Path-Downstream 1~13

1
[ 4330-21-6 ]
[ 1618-36-6 ]
[ 157666-32-5 ]

Yield	Reaction Conditions	Operation in experiment
		Step 3: Synthesis of (2R,3S,5R)-5-(4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoateTo a stirred suspension of sodium hydride (60percent dispersion in oil, 0.453 g, 11.32 mmol) in anhydrous ACN (50 ml) was added 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (1.724 g, 10.29 mmol) in portions under argon atmosphere and the mixture was stirred at 25 °C for 30 minutes. To the resulted clear solution was added Intermediate A (4.0 g, 10.29 mmol) portionwise at 25 °C. The resulting mixture was heated to 50 °C and stirred for 3 hours. The reaction progress was monitored by TLC. The mixture was concentrated under vacuum gave a solid, which was purified by silica-gel column chromatography using ethyl acetate/petrol ether (1 :6, v/v) to give the title compound. LC-MS: (ES, m/z): 520.25 [M+H]+. H-NMR: (300MHz, COC , ppm): delta 8.55 (s, 1H), 7.90-7.99 (m, 4H), 7.20-7.30 (m, 4H), 7.11 (s, 1H), 6.81 (dd, J = 6.0Hz, J= 8.4Hz, 1H), 5.76 (dd, J= 1.5Hz, J= 3.6Hz, 1H), 4.73-4.79 (m, 1H), 4.54-4.64 (m, 2H), 2.79-2.88 (m, 1H), 2.68-2.75 (m, 1H), 2.43(d, J= 3.0Hz, 6H), 2.33 (d, J= 0.9Hz, 3H). Step 4: Synthesis of (2R,3S,5R)-5-(4-amino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol

Reference： [1]Helvetica Chimica Acta,1994,vol. 77,p. 897 - 903
[2]Patent: WO2015/143712,2015,A1 .Location in patent: Page/Page column 39; 40

2
[ 40499-83-0 ]
[ 1618-36-6 ]
[ 1004992-12-4 ]

Yield	Reaction Conditions	Operation in experiment
84%	With N-ethyl-N,N-diisopropylamine; In isopropyl alcohol; at 80℃;	Step 1 : A solution of C13 (9.87 g; 57.5 mmol) in 2-propanol (100 mL) was treated with DIIPEA (16 mL; 86.25 mmol) followed by 3-pyrrolidinol (5.26 g; 60.38mmol). The reaction mixture was stirred at 8O0C overnight. The reaction mixture was concentrated and the resultant slurry mixture was treated with ethyl acetate (40 mL). The resultant precipitate was collected by filtration, rinsed with ethyl acetate (2 x 75 mL) and dried to provide 1-(5-methyl- <n="99"/>7H-pyrrolo[2,3-d]pyrimidin-4-yl)<strong>[40499-83-0]pyrrolidin-3-ol</strong> (C55). Yield: 10.58 g, 84 %. LRMS (M+): 219.1; tR (LCMS polar): 0.5 min.

Reference： [1]Journal of Medicinal Chemistry,2010,vol. 53,p. 4615 - 4622
[2]Patent: WO2008/12635,2008,A2 .Location in patent: Page/Page column 97-98

3
[ 1618-36-6 ]
[ 115093-90-8 ]

Yield	Reaction Conditions	Operation in experiment
83%	With N-chloro-succinimide; In dichloromethane; at 43℃; for 8h;	A. Preparation of 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine; Following the procedure in Pdulo, J. S.; Saxena, N. K.; Nassiri, M. R.; Turk, S. R.; Drach, J. C.; Townsend, L. B. J. Med. Chem. 31:2086 (1988), 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (Example 1A, 20. g, 0.13 mol) was suspended in anhydrous dichloromethane (500 mL), followed by addition of N-chlorosuccinimide (20.8 g, 0.160 mol). The reaction mixture was refluxed at 43 C. for 8 hours. The reaction was cooled down, and the white solid was filtered, washed with dichloromethane (300 mL), and dried to give 4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidine (20 g, 83%)

Reference： [1]Patent: US2006/189638,2006,A1 .Location in patent: Page/Page column 10

4
[ 1618-36-6 ]
[ 167484-18-6 ]
benzyl 1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
51%	In ethyl acetate; at 100℃; for 48h;	A suspension of 4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (0.05 g, 0.30 mmol) and benzyl 1 ,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate (0.0961 g, 0.3 mmol) in ethyl acetate was heated to 1000C, boiling off the ethyl acetate. The mixture was heated at 1000C for 48 h. The cooled reaction was taken up in ethyl acetate and saturated sodium bicarbonate. The layers were separated and the aqueous layer was extracted three times with ethyl acetate, and the combined organics were washed with brine, dried over sodium sulfate and evaporated. The crude material was absorbed on silica gel and chromatographed with 1:1 ethyl acetate/ hexanes to afford 0.693 g (51%) of benzyl 1-(5-methyl-7H-pyrrolo[2,3- dlpyrimidin^-yO-i ^-dihydro-i'H-spirotindole-S^'-piperidinel-i'-carboxylate; TR 7.80 min (HPLC conditions H).

Reference： [1]Patent: WO2006/90261,2006,A1 .Location in patent: Page/Page column 61
[2]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 3359 - 3363

5
[ 1618-36-6 ]
[ 149771-44-8 ]
[ 1116570-98-9 ]

Yield	Reaction Conditions	Operation in experiment
66%	With triethylamine; In isopropyl alcohol; at 180℃; for 0.5h;Microwave irradiation;	6.3. Example 3N-(3-bromophenyl)-3-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide A. Preparation of tert-butyl 3-(5-methyl-7H-pyrrolo [23-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate. To a solution of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (25 mg, 0.15 mmol) and <strong>[149771-44-8]tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate</strong> (30 mg, 0.14 mmol) in isopropanol (2 ml) was added triethylamine (36 muL, 0.26 mmol). The reaction was heated at 180 C. for 30 min in the microwave, then concentrated under vacuum. The residue was purified by prep HPLC (Sunfire C18 30×50 mm, 10-90% H2O/MeOH w/0.01% TFA, 15 min, 35 ml/min, 220 nm) to give tert-butyl 3-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (35 mg, 0.10 mmol, 66%).

Reference： [1]Patent: US2009/42893,2009,A1 .Location in patent: Page/Page column 8; 9

6
[ 919354-20-4 ]
[ 1618-36-6 ]
[ 1192189-30-2 ]

Yield	Reaction Conditions	Operation in experiment
75%	With triethylamine; In isopropyl alcohol; at 180.0℃; for 1.0h;Microwave irradiation;	B. Preparation of 4-methyl-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4yl)-piperidine-4-carboxylic acid. To a solution of 4-chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (0.274 g, 1.64 mmol) in isopropanol (10 mL) were added 4-methylpiperidine 4-carboxylic acid hydrochloric acid from step A (0.294 g, 1.64 mmol) and triethylamine (0.654 mL, 4.92 mmol). The reaction was heated to 180 C. for 1 hour under microwave conditions, concentrated, taken up with ice water, and neutralized to pH 3 with 6 N aq. HCl to precipitate the product. The product was collected by filtration and dried under vacuum overnight to give the title compound (0.42 g, 75%) as a gray solid. MS (ES+) [M+H]+=275.2.

Reference： [1]Patent: US2009/264450,2009,A1 .Location in patent: Page/Page column 9

7
[ 189333-03-7 ]
[ 1618-36-6 ]
[ 1304723-69-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 2335 - 2340

8
[ 64951-39-9 ]
[ 1618-36-6 ]
[ 1383341-86-3 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol at 150℃; for 0.833333h; microwave irradiation;	32 To 4-cMoro-5-methyl-7H-pyrrolo[23-^pyrinndine D4 (0.154 g) and N-methyl-N-4- piperidinylbenzamide D15 (0.2 g) was added Ethanol (5 rnL) and the reaction was heated at 150 °C for 30 minutes in the microwave. The reaction was heated again at 150 °C for 20 minutes. During the cooling, a white precipitate formed. This precipitate was filtered off and washed with Ethanol before being dried in vacuo at 40°C to afford product in 49mg.The filtrate was removed in vacuo and the crude residue purified by MDAP using the formic acid method. Fractions corresponding to the desired product were combined and solvent removed to give the product E32 in 22mg. LCMS [M+H]+ 350.12 (at) 0.66 min ( 2 min run)

Reference： [1]Current Patent Assignee: GALAPAGOS - WO2012/80735, 2012, A1 Location in patent: Page/Page column 65; 66

9
[ 56354-98-4 ]
[ 1618-36-6 ]
[ 1584150-74-2 ]

Yield	Reaction Conditions	Operation in experiment
9%	With hydrogenchloride; In 1,4-dioxane; ethanol; at 110℃; for 10h;	General procedure: A mixture comprising 60.0 mg (307 mumol) 4-chloro-6-ethyl-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (prepared according to intermediate exampLe 1a), 51 mg <strong>[56354-98-4]6-amino-1,3-benzothiazol-2(3H)-one</strong> (CAS-No: 56354-98-4), 1.75 mL ethanol and 16.9 muL hydrochloric acid (4M in dioxane) was reacted at 110C for 10 hours. The residue was digested in a mixture of diethyl ether and ethanol and dried to give 85.3 mg (85%) of the title compound.

Reference： [1]Patent: WO2014/44691,2014,A1 .Location in patent: Page/Page column 68; 75

10
[ 1618-36-6 ]
[ 129799-15-1 ]
1-tert-butyl 2-methyl 4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1,2-dicarboxylate [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2015,vol. 6,p. 84 - 88

11
[ 37675-20-0 ]
[ 1618-36-6 ]
(R)-(1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)methanol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 7835 - 7849

12
[ 1228947-14-5 ]
[ 1618-36-6 ]
5-methyl-4-[trans-4-(4-morpholinyl)cyclohexyl]oxy}-7H-pyrrolo[2,3-d]pyrimidine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 8934 - 8943

13
[ 1618-37-7 ]
[ 1618-36-6 ]

Yield	Reaction Conditions	Operation in experiment
81%	With trichlorophosphate Reflux;	4-Chloro-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (2) The hydroxy compound 1 (2.0 g, 13.4 mmol) was dissolved in POCl3 (50 mL) and stirred at reflux for 1.5 h. After cooling, the mixture was slowly poured into a vigorously stirred ice-water bath and stirred for 30 min. The mixture was carefully neutralized to pH 7 with solid NaOH. Then, the mixture was extracted with CH2Cl2 (3 x 150 mL). The combined organic layers were dried over MgSO4, filtered and concentrated under reduced pressure. The residue was purified by flash silica gel column chromatography using a gradient solvent system of PE/EtOAc from 100/0 up to 70/30. Finally the product was precipitated in a mixture of acetone/PE to 2 (3.6 g, 81 %) as a beige solid. 1H NMR (250 MHz, CDCl3) δ 9.49 (br s, 1H, NH), 8.60 (s, 1H, CH), 7.11 (dd, J = 2.3 Hz, J = 1.2 Hz, 1H, CH), 2.50 (d, J = 1.2 Hz, 3H, CH3). West, R. A. J. Org. Chem. 1961, 26, 4959-4961.

Reference： [1]Current Patent Assignee: CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITY OF ORLEANS - EP3915990, 2021, A1 Location in patent: Paragraph 0106; 0108

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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

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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. 1618-36-6 ] {[proInfo.proName]}

Quality Control of [ 1618-36-6 ]

Related Doc. of [ 1618-36-6 ]

Product Details of [ 1618-36-6 ]

Calculated chemistry of [ 1618-36-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1618-36-6 ]

Application In Synthesis of [ 1618-36-6 ]

[ 1618-36-6 ] Synthesis Path-Upstream 1~3

[ 1618-36-6 ] Synthesis Path-Downstream 1~13

Related Functional Groups of [ 1618-36-6 ]

Chlorides

Related Parent Nucleus of [ 1618-36-6 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 1618-36-6 ]

Related Parent Nucleus of
[ 1618-36-6 ]