[ CAS No. 64951-06-0 ]

Name: 64951-06-0|Ethyl imidazo[1,2-a]pyrimidine-2-carboxylate|97%
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Product Details of [ 64951-06-0 ]

CAS No. :	64951-06-0	MDL No. :	MFCD02186164
Formula :	C₉H₉N₃O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SORASSFGEFQWIH-UHFFFAOYSA-N
M.W :	191.19 g/mol	Pubchem ID :	2759351
Synonyms :

Calculated chemistry of [ 64951-06-0 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.22
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	49.07
TPSA :	56.49 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) :	-6.28 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.66
Log Po/w (XLOGP3) :	1.67
Log Po/w (WLOGP) :	0.91
Log Po/w (MLOGP) :	0.48
Log Po/w (SILICOS-IT) :	0.57
Consensus Log Po/w :	1.06

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.36
Solubility :	0.844 mg/ml ; 0.00441 mol/l
Class :	Soluble
Log S (Ali) :	-2.47
Solubility :	0.647 mg/ml ; 0.00338 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.2
Solubility :	1.21 mg/ml ; 0.00635 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.89

Safety of [ 64951-06-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 64951-06-0 ]

* 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 [ 64951-06-0 ]
Downstream synthetic route of [ 64951-06-0 ]

[ 64951-06-0 ] Synthesis Path-Upstream 1~6

1
[ 109-12-6 ]
[ 70-23-5 ]
[ 64951-07-1 ]
[ 64951-06-0 ]

Yield	Reaction Conditions	Operation in experiment
30%	at 75℃; for 16 h;	2-Aminopyrimidine (5 g, 52.6 mmol) and bromoethyl pyruvate (90percent, 7.35 mL, 52.6 mmol) were dissolved in ethanol (80 mL) and the reaction was heated to 75 °C for 16 h. The reaction was concentrated under reduced pressure and diluted with CH₂Cl₂ and sat aq NaHCO₃. The organic layer was washed with sat aq NaHCO₃ (2x) and the aq layers were extracted with CH₂Cl₂ (3x). The combined organic layers were dried over MgSO₄ and concentrated under reduced pressure. The resulting brown oil was suspended in cold CH₂Cl₂ and filtered. The filter cake was washed with cold CH₂Cl₂ to obtain ethyl imidazo[1,2-a]pyrimidine-2-carboxylate (3 g, 30percent) as a light yellow oil. The mother liquor contains a mixture of ethyl imidazo[1,2-a]pyrimidine-2- carboxylate and ethyl imidazo[1,2-a]pyrimidine-3-carboxylate (6 g, 60percent) in the form of thick, black oil. This black oil was first purified by silica gel chromatography followed by recrystallization from EtOAc to obtain ethyl imidazo[1,2-a]pyrimidine-3- carboxylate (2 g, 20percent).[00236] For 2-isomer: ¹H NMR (500 MHz, CDCl₃) δ 8.69 (dd, J= 2.2, 6.6 Hz, 1H), 8.67 (dd, J= 2.2, 4.4 Hz, 1H), 8.22 (s, 1H), 7.01 (dd, J= 3.9, 6.6 Hz, 1H), 4.46 (q, J= 7.2 Hz, 2H), 1.43 (t, J= 7.2 Hz, 3H). [00237] ¹³C NMR (500 MHz, CDCl₃) δ 162.8, 152.2, 147.8, 137.7, 134.4, 115.3, 110.0, 61.2, 14.2.[00238] HPLC-MS Phenomenex LUNA C-18 4.6 x 50 mm, 0 to 100percent B over 4 minutes, 1 minutes hold time, A = 90percent water, 10percent methanol, 0.1percent TFA, B = 10percent water, 90percent methanol, 0.1percent TFA, RT = 0.99 min, 95percent homogeneity index. [00239] LCMS: Anal. Calcd. for C₉H₉N₃O₂ 191.07 found: 192.13 (M+H)⁺.[00240] For 3-isomer: HPLC Phenomenex LUNA C-18 4.6 x 50 mm, 0 to 100percent B over 4 minutes, 1 minutes hold time, A = 90percent water, 10percent methanol, 0.1percent TFA, B = 10percent water, 90percent methanol, 0.1percent TFA, RT = 1.39 min, 100percent homogeneity index. [00241] LCMS: Anal. Calcd. for C₉H₉N₃O₂ 191.07 found: 192.19 (M+H)⁺.

Reference： [1] Patent: WO2006/71752, 2006, A1, . Location in patent: Page/Page column 83
[2] European Journal of Medicinal Chemistry, 1994, vol. 29, # 4, p. 279 - 286
[3] European Journal of Medicinal Chemistry, 1991, vol. 26, # 1, p. 13 - 18
[4] Journal of Medicinal Chemistry, 2010, vol. 53, # 15, p. 5620 - 5628
[5] Patent: WO2018/11628, 2018, A1, . Location in patent: Paragraph 00266

2
[ 109-12-6 ]
[ 70-23-5 ]
[ 64951-07-1 ]
[ 64951-06-0 ]

Yield	Reaction Conditions	Operation in experiment
30%	at 75℃; for 16 h;	2-Aminopyrimidine (5 g, 52.6 mmol) and bromoethyl pyruvate (90percent, 7.35 mL, 52.6 mmol) were dissolved in ethanol (80 mL) and the reaction was heated to 75 °C for 16 h. The reaction was concentrated under reduced pressure and diluted with CH₂Cl₂ and sat aq NaHCO₃. The organic layer was washed with sat aq NaHCO₃ (2x) and the aq layers were extracted with CH₂Cl₂ (3x). The combined organic layers were dried over MgSO₄ and concentrated under reduced pressure. The resulting brown oil was suspended in cold CH₂Cl₂ and filtered. The filter cake was washed with cold CH₂Cl₂ to obtain ethyl imidazo[1,2-a]pyrimidine-2-carboxylate (3 g, 30percent) as a light yellow oil. The mother liquor contains a mixture of ethyl imidazo[1,2-a]pyrimidine-2- carboxylate and ethyl imidazo[1,2-a]pyrimidine-3-carboxylate (6 g, 60percent) in the form of thick, black oil. This black oil was first purified by silica gel chromatography followed by recrystallization from EtOAc to obtain ethyl imidazo[1,2-a]pyrimidine-3- carboxylate (2 g, 20percent).[00236] For 2-isomer: ¹H NMR (500 MHz, CDCl₃) δ 8.69 (dd, J= 2.2, 6.6 Hz, 1H), 8.67 (dd, J= 2.2, 4.4 Hz, 1H), 8.22 (s, 1H), 7.01 (dd, J= 3.9, 6.6 Hz, 1H), 4.46 (q, J= 7.2 Hz, 2H), 1.43 (t, J= 7.2 Hz, 3H). [00237] ¹³C NMR (500 MHz, CDCl₃) δ 162.8, 152.2, 147.8, 137.7, 134.4, 115.3, 110.0, 61.2, 14.2.[00238] HPLC-MS Phenomenex LUNA C-18 4.6 x 50 mm, 0 to 100percent B over 4 minutes, 1 minutes hold time, A = 90percent water, 10percent methanol, 0.1percent TFA, B = 10percent water, 90percent methanol, 0.1percent TFA, RT = 0.99 min, 95percent homogeneity index. [00239] LCMS: Anal. Calcd. for C₉H₉N₃O₂ 191.07 found: 192.13 (M+H)⁺.[00240] For 3-isomer: HPLC Phenomenex LUNA C-18 4.6 x 50 mm, 0 to 100percent B over 4 minutes, 1 minutes hold time, A = 90percent water, 10percent methanol, 0.1percent TFA, B = 10percent water, 90percent methanol, 0.1percent TFA, RT = 1.39 min, 100percent homogeneity index. [00241] LCMS: Anal. Calcd. for C₉H₉N₃O₂ 191.07 found: 192.19 (M+H)⁺.

3
[ 109-12-6 ]
[ 70-23-5 ]
[ 64951-06-0 ]

Reference： [1] ACS Combinatorial Science, 2018, vol. 20, # 3, p. 164 - 171
[2] Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 5, p. 1170 - 1176

4
[ 617-35-6 ]
[ 64951-06-0 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1992, vol. 40, # 5, p. 1170 - 1176

5
[ 64951-06-0 ]
[ 134044-63-6 ]

Reference： [1] RSC Advances, 2016, vol. 6, # 93, p. 90031 - 90034
[2] European Journal of Medicinal Chemistry, 1991, vol. 26, # 1, p. 13 - 18

6
[ 64951-06-0 ]
[ 149520-94-5 ]

Yield	Reaction Conditions	Operation in experiment
100%	With hydrazine In ethanol at 75℃; for 16 h;	To a stirred solution of ethyl imidazo[l ,2-α]pyrimidine-2-carboxylate or ethyl imidazo[1,2-a]pyrimidine-3-carboxylate (1 g, 5.2 mmol) in ethanol (40 mL) was added hydrazine monohydrate (0.28 mL, 5.7 mmol). The reaction was heated to 75 °C for 16 h and was concentrated under reduced pressure. The resulting light yellow solid was suspended in diethyl ether and filtered to collect ethyl 2-amino-1H-imidazole-4- carboxylate (800 mg, 100percent) as a white solid. [00243] ¹E NMR (400 MHz, CD₃OD) 5 7.27 (s, 1H), 4.24 (q, J= 7.0 Hz, 2H), 1.31(t, J= 7.0 Hz, 3H).[00244] ¹³C NMR (500 MHz, CD₃OD) δ 165.5, 156.1, 131.8, 125.7, 63.8, 17.3.[00245] HPLC Phenomenex LUNA C- 18 4.6 x 50 mm, 0 to 100percent B over 4 minutes, 1 minutes hold time, A = 90percent water, 10percent methanol, 0.1percent TFA, B = 10percent water, 90percent methanol, 0.1percent TFA, RT = 0.46 min, 100percent homogeneity index.[00246] Anal. Calcd for C₆H₉N₃O₂: C, 46.44; H, 5.84; N₅ 27.08. Found: C, 46.17;H, 5.65; N, 27.28.[00247] HRMS: Anal. Calcd. for C₆Hi₀N₃O₂ 156.0773 found: 156.0779 (M+H)⁺.

Reference： [1] Patent: WO2006/71752, 2006, A1, . Location in patent: Page/Page column 84

[ 64951-06-0 ] Synthesis Path-Downstream 1~15

1
[ 109-12-6 ]
[ 70-23-5 ]
[ 64951-07-1 ]
[ 64951-06-0 ]

Yield	Reaction Conditions	Operation in experiment
20%; 30%	In ethanol; at 75.0℃; for 16.0h;	2-Aminopyrimidine (5 g, 52.6 mmol) and bromoethyl pyruvate (90%, 7.35 mL, 52.6 mmol) were dissolved in ethanol (80 mL) and the reaction was heated to 75 C for 16 h. The reaction was concentrated under reduced pressure and diluted with CH2Cl2 and sat aq NaHCO3. The organic layer was washed with sat aq NaHCO3 (2x) and the aq layers were extracted with CH2Cl2 (3x). The combined organic layers were dried over MgSO4 and concentrated under reduced pressure. The resulting brown oil was suspended in cold CH2Cl2 and filtered. The filter cake was washed with cold CH2Cl2 to obtain ethyl imidazo[1,2-a]pyrimidine-2-carboxylate (3 g, 30%) as a light yellow oil. The mother liquor contains a mixture of ethyl imidazo[1,2-a]pyrimidine-2- carboxylate and ethyl imidazo[1,2-a]pyrimidine-3-carboxylate (6 g, 60%) in the form of thick, black oil. This black oil was first purified by silica gel chromatography followed by recrystallization from EtOAc to obtain ethyl imidazo[1,2-a]pyrimidine-3- carboxylate (2 g, 20%).[00236] For 2-isomer: 1H NMR (500 MHz, CDCl3) delta 8.69 (dd, J= 2.2, 6.6 Hz, 1H), 8.67 (dd, J= 2.2, 4.4 Hz, 1H), 8.22 (s, 1H), 7.01 (dd, J= 3.9, 6.6 Hz, 1H), 4.46 (q, J= 7.2 Hz, 2H), 1.43 (t, J= 7.2 Hz, 3H). [00237] 13C NMR (500 MHz, CDCl3) delta 162.8, 152.2, 147.8, 137.7, 134.4, 115.3, 110.0, 61.2, 14.2.[00238] HPLC-MS Phenomenex LUNA C-18 4.6 x 50 mm, 0 to 100% B over 4 minutes, 1 minutes hold time, A = 90% water, 10% methanol, 0.1% TFA, B = 10% water, 90% methanol, 0.1% TFA, RT = 0.99 min, 95% homogeneity index. [00239] LCMS: Anal. Calcd. for C9H9N3O2 191.07 found: 192.13 (M+H)+.[00240] For 3-isomer: HPLC Phenomenex LUNA C-18 4.6 x 50 mm, 0 to 100% B over 4 minutes, 1 minutes hold time, A = 90% water, 10% methanol, 0.1% TFA, B = 10% water, 90% methanol, 0.1% TFA, RT = 1.39 min, 100% homogeneity index. [00241] LCMS: Anal. Calcd. for C9H9N3O2 191.07 found: 192.19 (M+H)+.
	In ethanol; at 75.0℃;	A mixture of pyrimidin-2-ylamine (2.0 g, 21.1 mmol, 1.0 eq) and 3-bromo-2- oxo-propionic acid ethyl ester (5.13 g, 21.1 mmol, 1.0 eq ) in EtOH (30 mL ) was stirred at 75 C overnight. The reaction mixture was concentrated and the resulting residue was purified by chromatography on a silica gel column (DCM/MeOH = 20/1, v/v ) to give a mixture of imidazo[l,2-a]pyrimidine-2-carboxylic acid ethyl ester and imidazo[l,2- a]pyrimidine-3-carboxylic acid ethyl ester (3.05 g, 76% ) as a yellow solid.

Reference： [1]Patent: WO2006/71752,2006,A1 .Location in patent: Page/Page column 83
[2]European Journal of Medicinal Chemistry,1994,vol. 29,p. 279 - 286
[3]Organic and Biomolecular Chemistry,2019,vol. 17,p. 5269 - 5278
[4]European Journal of Medicinal Chemistry,1991,vol. 26,p. 13 - 18
[5]Journal of Medicinal Chemistry,2010,vol. 53,p. 5620 - 5628
[6]Patent: WO2018/11628,2018,A1 .Location in patent: Paragraph 00266

2
[ 109-12-6 ]
[ 70-23-5 ]
[ 64951-06-0 ]

Reference： [1]ACS Combinatorial Science,2018,vol. 20,p. 164 - 171
[2]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1170 - 1176

4
[ 64951-06-0 ]
[ 134044-56-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1170 - 1176

5
[ 64951-06-0 ]
[ 143696-96-2 ]

Reference： [1]Journal of Heterocyclic Chemistry,1992,vol. 29,p. 691 - 697
[2]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1170 - 1176

6
[ 64951-06-0 ]
Imidazo[1,2-a]pyrimidine-2-carboxylic acid amide [ No CAS ]

Reference： [1]Farmaco, Edizione Scientifica,1980,vol. 35,p. 654 - 673

9
[ 617-35-6 ]
[ 64951-06-0 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1992,vol. 40,p. 1170 - 1176

10
[ 64951-06-0 ]
[ 149520-94-5 ]

Yield	Reaction Conditions	Operation in experiment
100%	With hydrazine; In ethanol; at 75℃; for 16h;Product distribution / selectivity;	To a stirred solution of ethyl imidazo[l ,2-alpha]pyrimidine-2-carboxylate or ethyl imidazo[1,2-a]pyrimidine-3-carboxylate (1 g, 5.2 mmol) in ethanol (40 mL) was added hydrazine monohydrate (0.28 mL, 5.7 mmol). The reaction was heated to 75 C for 16 h and was concentrated under reduced pressure. The resulting light yellow solid was suspended in diethyl ether and filtered to collect ethyl 2-amino-1H-imidazole-4- carboxylate (800 mg, 100%) as a white solid. [00243] 1E NMR (400 MHz, CD3OD) 5 7.27 (s, 1H), 4.24 (q, J= 7.0 Hz, 2H), 1.31(t, J= 7.0 Hz, 3H).[00244] 13C NMR (500 MHz, CD3OD) delta 165.5, 156.1, 131.8, 125.7, 63.8, 17.3.[00245] HPLC Phenomenex LUNA C- 18 4.6 x 50 mm, 0 to 100% B over 4 minutes, 1 minutes hold time, A = 90% water, 10% methanol, 0.1% TFA, B = 10% water, 90% methanol, 0.1% TFA, RT = 0.46 min, 100% homogeneity index.[00246] Anal. Calcd for C6H9N3O2: C, 46.44; H, 5.84; N5 27.08. Found: C, 46.17;H, 5.65; N, 27.28.[00247] HRMS: Anal. Calcd. for C6Hi0N3O2 156.0773 found: 156.0779 (M+H)+.

Reference： [1]Patent: WO2006/71752,2006,A1 .Location in patent: Page/Page column 84

11
[iridium(III)(μ-chloro)(2-phenylpyridine)2]2 [ No CAS ]
[ 64951-06-0 ]
[ 1231729-00-2 ]

Reference： [1]Inorganic Chemistry Communications,2010,vol. 13,p. 179 - 182

12
[ 64951-06-0 ]
[ 860612-52-8 ]

Reference： [1]Journal of the American Chemical Society,2014,vol. 136,p. 6908 - 6911
[2]Chemical Communications,2015,vol. 51,p. 14852 - 14855
[3]European Journal of Organic Chemistry,2016,vol. 2016,p. 5937 - 5940
[4]Organic Letters,2016,vol. 18,p. 1976 - 1979

13
[ 623-73-4 ]
[ 64951-06-0 ]
triethyl 4a,5a,5b,6-tetrahydro-5H-azirino[1,2-c]-cycloprop[e]imidazo[1,2-a]pyrimidine-2,5,6-tricarboxylate [ No CAS ]
C₁₇H₂₁N₃O₆ [ No CAS ]
C₁₇H₂₁N₃O₆ [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2016,vol. 81,p. 3070 - 3075

14
[ 51440-83-6 ]
[ 64951-06-0 ]
2-(2-(ethoxycarbonyl)imidazo[1,2-a]pyrimidin-3-yl)propanoic acid [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 1413 - 1416

15
[ 25554-84-1 ]
[ 64951-06-0 ]
2-(2-(ethoxycarbonyl)imidazo[1,2-a]pyrimidin-3-yl)acetic acid [ No CAS ]

Reference： [1]Organic Letters,2018,vol. 20,p. 1413 - 1416

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Ghs Precautionary Statements

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P320
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P321
P322
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P378
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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. 64951-06-0 ]

Quality Control of [ 64951-06-0 ]

Related Doc. of [ 64951-06-0 ]

Product Details of [ 64951-06-0 ]

Calculated chemistry of [ 64951-06-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 64951-06-0 ]

Application In Synthesis of [ 64951-06-0 ]

[ 64951-06-0 ] Synthesis Path-Upstream 1~6

[ 64951-06-0 ] Synthesis Path-Downstream 1~15

Related Functional Groups of [ 64951-06-0 ]

Esters

Related Parent Nucleus of [ 64951-06-0 ]

Other Aromatic Heterocycles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 64951-06-0 ]

Related Parent Nucleus of
[ 64951-06-0 ]