[ CAS No. 695-86-3 ] {[proInfo.proName]}

Name: 695-86-3|5-Methoxypyrimidin-4-amine|98%
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Quality Control of [ 695-86-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 695-86-3 ]

SDS Specification

Alternatived Products of [ 695-86-3 ]

Product Details of [ 695-86-3 ]

CAS No. :	695-86-3	MDL No. :	MFCD01646126
Formula :	C₅H₇N₃O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SEEZTIHVTBTNSZ-UHFFFAOYSA-N
M.W :	125.13	Pubchem ID :	817704
Synonyms :

Calculated chemistry of [ 695-86-3 ]

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	32.93
TPSA :	61.03 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.44
Log Po/w (XLOGP3) :	-0.17
Log Po/w (WLOGP) :	0.08
Log Po/w (MLOGP) :	-0.9
Log Po/w (SILICOS-IT) :	0.2
Consensus Log Po/w :	0.13

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.94
Solubility :	14.5 mg/ml ; 0.116 mol/l
Class :	Very soluble
Log S (Ali) :	-0.66
Solubility :	27.6 mg/ml ; 0.221 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.38
Solubility :	5.24 mg/ml ; 0.0419 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.8

Safety of [ 695-86-3 ]

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 [ 695-86-3 ]

* 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 [ 695-86-3 ]
Downstream synthetic route of [ 695-86-3 ]

[ 695-86-3 ] Synthesis Path-Upstream 1~6

1
[ 695-85-2 ]
[ 695-86-3 ]

Yield	Reaction Conditions	Operation in experiment
87%	With ammonia In ethanol at 130℃; for 12 h; Autoclave	A suspension of 4-chloro-5-methoxypyrimidine (I-89) (40 g, 280 mmol) in NH3 (g)/EtOH (4 M, 2000 mL) was poured into an autoclave at room temperature and stirred at 130 °C for 12 hr. TLC (CH2CI2/MeOH = 10:1 ) showed the reaction was complete. The mixture was cooled to room temperature and concentrated in vacuo to give a residue, to which was added CH2CI2 (100 mL) and the resulting mixture was stirred at room temperature for 30 min. The resulting suspension was filtered to remove NH4CI salt, and the filtrate was concentrated in vacuo to give the crude product. The crude product was stirred in a mixed solvent of EtOAc/CH2CI2 (50 mL, 4:1 ) for 30 min, filtered and concentrated in vacuo to obtain 4-amino-5-methoxypyrimidine (I-90) (30 g, 87percent) as a yellow solid. 1H NMR (400 MHz, DMSO-c/6) 8 ppm 8.01 (s, 1 H), 7.81 (s, 1 H), 6.75 (br. s., 2 H), 3.81 (s, 3 H).

Reference： [1] Patent: WO2016/97918, 2016, A1, . Location in patent: Page/Page column 80
[2] Organic Process Research and Development, 2015, vol. 19, # 6, p. 639 - 645
[3] European Journal of Medicinal Chemistry, 2009, vol. 44, # 10, p. 4179 - 4191

2
[ 5018-41-7 ]
[ 695-86-3 ]

Reference： [1] Organic Process Research and Development, 2015, vol. 19, # 6, p. 639 - 645

3
[ 31458-33-0 ]
[ 695-86-3 ]

Reference： [1] Synthesis, 1996, # 7, p. 838 - 842

4
[ 180284-27-9 ]
[ 695-86-3 ]

Reference： [1] Synthesis, 1996, # 7, p. 838 - 842

5
[ 695-87-4 ]
[ 695-86-3 ]

Reference： [1] Organic Process Research and Development, 2015, vol. 19, # 6, p. 639 - 645
[2] Patent: WO2016/97918, 2016, A1,

6
[ 695-86-3 ]
[ 52601-89-5 ]

Reference： [1] Organic Process Research and Development, 2015, vol. 19, # 6, p. 639 - 645
[2] European Journal of Medicinal Chemistry, 2009, vol. 44, # 10, p. 4179 - 4191
[3] Patent: WO2016/97918, 2016, A1, . Location in patent: Page/Page column 80

[ 695-86-3 ] Synthesis Path-Downstream 1~19

1
[ 695-86-3 ]
[ 15568-85-1 ]
[ 133210-62-5 ]

Reference： [1]Journal of Heterocyclic Chemistry,1990,vol. 27,p. 1963 - 1967

2
[ 695-86-3 ]
[ 87-13-8 ]
[ 133210-60-3 ]

Reference： [1]Journal of Heterocyclic Chemistry,1990,vol. 27,p. 1963 - 1967

3
C₂₃H₂₀N₃OP [ No CAS ]
[ 695-86-3 ]

Reference： [1]Synthesis,1996,p. 838 - 842

5
[ 101012-11-7 ]
palladium/charcoal [ No CAS ]
methanol.KOH [ No CAS ]
[ 695-86-3 ]

Reference： [1]Justus Liebigs Annalen der Chemie,1958,vol. 612,p. 163,164

6
4-[4-(4,6-dichloro[1,3,5]triazin-2-ylamino)-5-methoxy-2-methylphenylazo]-5-hydroxynaphthalene-2,7-disulfonic acid disodium salt [ No CAS ]
[ 695-86-3 ]
4-[4-(4,6-bis(5-methoxypyrimidin-4-ylamino)[1,3,5]triazin-2-ylamino)-5-methoxy-2-methylphenylazo]-5-hydroxynaphthalene-2,7-disulfonic acid disodium salt [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 1215 - 1220

7
[ 31458-33-0 ]
[ 695-86-3 ]

Reference： [1]Synthesis,1996,p. 838 - 842

8
[ 180284-27-9 ]
[ 695-86-3 ]

Reference： [1]Synthesis,1996,p. 838 - 842

9
[ 695-86-3 ]
[ 133210-66-9 ]

Reference： [1]Journal of Heterocyclic Chemistry,1990,vol. 27,p. 1963 - 1967

10
[ 695-86-3 ]
[ 133210-65-8 ]

Reference： [1]Journal of Heterocyclic Chemistry,1990,vol. 27,p. 1963 - 1967

11
[ 695-86-3 ]
[ 52601-89-5 ]

Yield	Reaction Conditions	Operation in experiment
90%	With sodium methylate; 1-dodecylthiol; In N,N-dimethyl-formamide; at 120℃; for 12h;Inert atmosphere;	4-Amino-5-methoxypyrimidine 53a (500.0 mg, 4.0 mmol) and sodium methoxide (432.0 mg, 8.0 mmol) were dissolved in anhydrous N,N-dimethylformamide (6.0 mL).To which was added dodecyl mercaptan (1.61 g, 8.00 mmol),Stir at 120 C for 12 hours. The reaction solution was cooled to room temperature and dehydrated under reduced pressure to give a crude material.The pH was adjusted to 5-6 with water (5.0 mL) and acetic acid (0.5 mL). The aqueous phase was washed with ethyl acetate (10 mL×5).Decompression under reduced pressure gave 4-amino-5-hydroxypyrimidine 53b (400.0 mg, 3.60 mmol,Off-white solid), yield 90%.
	With sodium thiomethoxide; In N,N-dimethyl-formamide; at 120℃; for 12h;	To a solution of 4-amino-5-methoxypyrimidine (I-90) (40 g, 319.67 mmol) in anhydrous DMF (2500 mL) was added CH3SNa (40.3 g, 575 mmol, Aldrich 95% purity, powdered solid) at room temperature. The resulting mixture was heated at 120 C for 12 hr. TLC (CH2CI2/MeOH = 10:1) showed the reaction was complete. The mixture was concentrated in vacuo to give a residue, to which was added AcOH (35 mL) and H20 (100 mL). The mixture was then evaporated in vacuo to give the crude product. The crude product was purified by silica gel chromatography (CH2CI2/MeOH = 50:1 to 5:1 ) to afford 4-amino-5-hydroxypyrimidine (1-91) (29 g, 82%) as a brown solid. This may contain some inorganic solids, but was used directly in the next step without further purification. 1H NMR (400 MHz, DMSO-cf6) delta ppm 7.90 (s,1 H), 7.62 (s, 1 H), 6.46 (br. s., 2 H).

Reference： [1]Patent: CN109020957,2018,A .Location in patent: Paragraph 0227
[2]Organic Process Research and Development,2015,vol. 19,p. 639 - 645
[3]European Journal of Medicinal Chemistry,2009,vol. 44,p. 4179 - 4191
[4]Patent: WO2016/97918,2016,A1 .Location in patent: Page/Page column 80

12
[ 695-85-2 ]
[ 695-86-3 ]

Yield	Reaction Conditions	Operation in experiment
87%	With ammonia; In ethanol; at 130℃; for 12h;Autoclave;	A suspension of <strong>[695-85-2]4-chloro-5-methoxypyrimidine</strong> (I-89) (40 g, 280 mmol) in NH3 (g)/EtOH (4 M, 2000 mL) was poured into an autoclave at room temperature and stirred at 130 C for 12 hr. TLC (CH2CI2/MeOH = 10:1 ) showed the reaction was complete. The mixture was cooled to room temperature and concentrated in vacuo to give a residue, to which was added CH2CI2 (100 mL) and the resulting mixture was stirred at room temperature for 30 min. The resulting suspension was filtered to remove NH4CI salt, and the filtrate was concentrated in vacuo to give the crude product. The crude product was stirred in a mixed solvent of EtOAc/CH2CI2 (50 mL, 4:1 ) for 30 min, filtered and concentrated in vacuo to obtain 4-amino-5-methoxypyrimidine (I-90) (30 g, 87%) as a yellow solid. 1H NMR (400 MHz, DMSO-c/6) 8 ppm 8.01 (s, 1 H), 7.81 (s, 1 H), 6.75 (br. s., 2 H), 3.81 (s, 3 H).

Reference： [1]Patent: WO2016/97918,2016,A1 .Location in patent: Page/Page column 80
[2]Organic Process Research and Development,2015,vol. 19,p. 639 - 645
[3]European Journal of Medicinal Chemistry,2009,vol. 44,p. 4179 - 4191

13
[ 5018-41-7 ]
[ 695-86-3 ]

Reference： [1]Organic Process Research and Development,2015,vol. 19,p. 639 - 645

14
[ 695-87-4 ]
[ 695-86-3 ]

Reference： [1]Organic Process Research and Development,2015,vol. 19,p. 639 - 645
[2]Patent: WO2016/97918,2016,A1

15
[ 695-86-3 ]
5′-bromo-7′-chloro-2′-[(4-methoxyphenyl)methyl]spiro[cyclohexane-1,3′-isoindoline]-1′-one [ No CAS ]
4'-chloro-2'-(4-methoxybenzyl)-6'-((5-methoxypyrimidin-4-yl)amino)spiro[cyclohexane-1,1'-isoindolin]-3'-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tris-(dibenzylideneacetone)dipalladium(0); palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; XPhos; In 1,4-dioxane; at 100℃; for 12.0h;Inert atmosphere;	General procedure: Synthesis of 2-methyl-5-((9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-yl)amino)isoindolin-1-one (4) Procedure A: A mixture of 9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-amine (3, 0.10 g, 0.37 mmol), 5-bromo-2-methylisoindolin-1-one (2, 0.10 g, 0.45 mmol), sodium tert-butoxide (54 mg, 0.56 mmol) and XPhos (5 mg, 0.01 mmol) in toluene (10 mL) was degassed with argon for 30 min. Tris(dibenzylideneacetone)dipalladium(0) (20 mg, 0.022 mmol) was added under argon atmosphere and the reaction mixture was heated at 100 C. for 12 h. After completion of the reaction, the reaction mixture was filtered through celite pad and the filtrate was concentrated. The crude residue was purified by silica gel column chromatography using 0-10% ethyl acetate in hexanes as eluent to afford 2-methyl-5-((9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-yl)amino)isoindolin-1-one (4). Yield: 0.11 g, 71%; MS (ESI) m/z 411 [M+1]+.

Reference： [1]Patent: US10112955,2018,B2 .Location in patent: Page/Page column 29; 119

16
[ 695-86-3 ]
6-bromo-2-(4-methoxybenzyl)-1',4-dimethylspiro[isoindoline-1,4'-piperidin]-3-one [ No CAS ]
2-(4-methoxybenzyl)-6-((5-methoxypyrimidin-4-yl)amino)-1',4-dimethylspiro[isoindoline-1,4'-piperidin]-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
90%	With tris-(dibenzylideneacetone)dipalladium(0); palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; XPhos; In 1,4-dioxane; at 90℃; for 12.0h;Inert atmosphere;	General procedure: Synthesis of 2-methyl-5-((9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-yl)amino)isoindolin-1-one (4) Procedure A: A mixture of 9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-amine (3, 0.10 g, 0.37 mmol), 5-bromo-2-methylisoindolin-1-one (2, 0.10 g, 0.45 mmol), sodium tert-butoxide (54 mg, 0.56 mmol) and XPhos (5 mg, 0.01 mmol) in toluene (10 mL) was degassed with argon for 30 min. Tris(dibenzylideneacetone)dipalladium(0) (20 mg, 0.022 mmol) was added under argon atmosphere and the reaction mixture was heated at 100 C. for 12 h. After completion of the reaction, the reaction mixture was filtered through celite pad and the filtrate was concentrated. The crude residue was purified by silica gel column chromatography using 0-10% ethyl acetate in hexanes as eluent to afford 2-methyl-5-((9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-yl)amino)isoindolin-1-one (4). Yield: 0.11 g, 71%; MS (ESI) m/z 411 [M+1]+.

Reference： [1]Patent: US10112955,2018,B2 .Location in patent: Page/Page column 29; 129

17
[ 695-86-3 ]
6-bromo-1'-(2,2-difluoroethyl)-2-(4-methoxybenzyl)-4-methylspiro[isoindoline-1,4'-piperidin]-3-one [ No CAS ]
1'-(2,2-difluoroethyl)-2-(4-methoxybenzyl)-6-((5-methoxypyrimidin-4-yl)amino)-4-methylspiro[isoindoline-1,4'-piperidin]-3-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tris-(dibenzylideneacetone)dipalladium(0); palladium diacetate; caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; XPhos; In 1,4-dioxane; at 90℃; for 12.0h;Inert atmosphere;	General procedure: Synthesis of 2-methyl-5-((9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-yl)amino)isoindolin-1-one (4) Procedure A: A mixture of 9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-amine (3, 0.10 g, 0.37 mmol), 5-bromo-2-methylisoindolin-1-one (2, 0.10 g, 0.45 mmol), sodium tert-butoxide (54 mg, 0.56 mmol) and XPhos (5 mg, 0.01 mmol) in toluene (10 mL) was degassed with argon for 30 min. Tris(dibenzylideneacetone)dipalladium(0) (20 mg, 0.022 mmol) was added under argon atmosphere and the reaction mixture was heated at 100 C. for 12 h. After completion of the reaction, the reaction mixture was filtered through celite pad and the filtrate was concentrated. The crude residue was purified by silica gel column chromatography using 0-10% ethyl acetate in hexanes as eluent to afford 2-methyl-5-((9-((2-(trimethylsilyl)ethoxy)methyl)-9H-purin-6-yl)amino)isoindolin-1-one (4). Yield: 0.11 g, 71%; MS (ESI) m/z 411 [M+1]+.

Reference： [1]Patent: US10112955,2018,B2 .Location in patent: Page/Page column 29; 136

18
[ 14508-49-7 ]
[ 695-86-3 ]
C₉H₉N₅O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
44%	With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 90℃; for 40.0h;Inert atmosphere;	Under Ar(g), to a mixture of 2-chloropyrazine (1) (252mg, 2.2mmol), 5- methoxypyrimidin-4-amine (2) (250mg, 2.0mmol), Cs2C03 (1.3g, 4.0mmol) was added degassed dry 1 ,4-dioxane (13mL). The reaction mixture was then flushed with Ar(g) for 1 min before Pd2(dba)3 (92mg, 0.1 mmol) and Xantphos (127mg, 0.22mmol) were added. The reaction mixture was heated up to 90C for 40h. It was then cooled down to rt. EtOAc (15ml_), H20 (10mL) and brine (5ml_) were added to the reaction mixture. The organic phase was separated and the aqueous phase was extracted with EtOAc (15ml_). The organic layers were combined and Pd-scavenger (MP-TMT, ~400mg, 1.3mmol/g) was added. This was shaken for several hours followed by filtration. The filtrate was concentrated in vacuo, dissolved in DMSO (4ml_) and purified by basic prep LCMS to yield (3) as a solid (180mg, 44%). (0695) LCMS (ES): Found 204.2 [M+Hf.

Reference： [1]Patent: WO2019/166824,2019,A1 .Location in patent: Page/Page column 90

19
[ 695-86-3 ]
5-methoxy-N-(pyrazin-2-yl)-N-({5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl}methyl)pyrimidin-4-amine [ No CAS ]

Reference： [1]Patent: WO2019/166824,2019,A1

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
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Code	Phrase
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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
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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. 695-86-3 ] {[proInfo.proName]}

Quality Control of [ 695-86-3 ]

Related Doc. of [ 695-86-3 ]

Product Details of [ 695-86-3 ]

Calculated chemistry of [ 695-86-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 695-86-3 ]

Application In Synthesis of [ 695-86-3 ]

[ 695-86-3 ] Synthesis Path-Upstream 1~6

[ 695-86-3 ] Synthesis Path-Downstream 1~19

Related Functional Groups of [ 695-86-3 ]

Ethers

Amines

Related Parent Nucleus of [ 695-86-3 ]

Pyrimidines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 695-86-3 ]

Related Parent Nucleus of
[ 695-86-3 ]